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150450-53-6 | 4-Quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-
CAS No: 150450-53-6 Catalog No: AG001MMS MDL No:
Product Description
Catalog Number:
AG001MMS
Chemical Name:
4-Quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-
CAS Number:
150450-53-6
Molecular Formula:
C16H12ClN3O2
Molecular Weight:
313.7384
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
InChI:
InChI=1S/C16H12ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8H,7,9H2,(H,18,19,20)
InChI Key:
CNODHOSDWZLJGA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(ncn2)NCc1ccc2c(c1)OCO2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.741g/mol
Monoisotopic Mass:
313.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Inhibition of phosphodiesterase 5 selectively reverses nitrate tolerance in the venous circulation. | The Journal of pharmacology and experimental therapeutics 20060401 |
| Evidence for expression and function of phosphodiesterase type 5 (PDE-V) in rat resistance arteries. | British journal of pharmacology 20010101 |
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