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123798-73-2 | 4(3H)-Quinazolinone, 3-amino-2-[(2-naphthalenyloxy)methyl]-
CAS No: 123798-73-2 Catalog No: AG000L3O MDL No:
Product Description
Catalog Number:
AG000L3O
Chemical Name:
4(3H)-Quinazolinone, 3-amino-2-[(2-naphthalenyloxy)methyl]-
CAS Number:
123798-73-2
Molecular Formula:
C19H15N3O2
Molecular Weight:
317.3413
IUPAC Name:
3-amino-2-(naphthalen-2-yloxymethyl)quinazolin-4-one
InChI:
InChI=1S/C19H15N3O2/c20-22-18(21-17-8-4-3-7-16(17)19(22)23)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12,20H2
InChI Key:
QINBJHNRSSZABT-UHFFFAOYSA-N
SMILES:
Nn1c(COc2ccc3c(c2)cccc3)nc2c(c1=O)cccc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.348g/mol
Monoisotopic Mass:
317.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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