CAS 233-88-5 | 1H-Pyrrolo[3,2-h]quinoline | CAS Number 233-88-5

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233-88-5 | 1H-Pyrrolo[3,2-h]quinoline

CAS No: 233-88-5 Catalog No: AG002MTJ MDL No:MFCD00214439

Product Description

Catalog Number:

AG002MTJ

Chemical Name:

1H-Pyrrolo[3,2-h]quinoline

CAS Number:

233-88-5

Molecular Formula:

C11H8N2

Molecular Weight:

168.1946

MDL Number:

MFCD00214439

IUPAC Name:

1H-pyrrolo[3,2-h]quinoline

InChI:

InChI=1S/C11H8N2/c1-2-8-3-4-9-5-7-13-11(9)10(8)12-6-1/h1-7,13H

InChI Key:

WNCAJASYDRNBHG-UHFFFAOYSA-N

SMILES:

c1ccc2c(n1)c1[nH]ccc1cc2

Properties

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.199g/mol

Monoisotopic Mass:

168.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Distribution and favorable binding sites of pyrroloquinoline and its analogues in a lipid bilayer studied by molecular dynamics simulations.	Biophysical chemistry 20080801
Separation of different hydrogen-bonded clusters by femtosecond UV-ionization-detected infrared spectroscopy: 1H-pyrrolo[3,2-h]quinoline.(H2O)(n=1,2) complexes.	The journal of physical chemistry. A 20080214
Fluorescence quenching in cyclic hydrogen-bonded complexes of 1H-pyrrolo[3,2-h]quinoline with methanol: cluster size effect.	Physical chemistry chemical physics : PCCP 20070707
Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h]quinoline: adiabatic time-dependent density functional theory study.	The journal of physical chemistry. A 20061102