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89804-96-6 | 4(3H)-Quinazolinone, 6-chloro-3-(1-piperidinyl)-
CAS No: 89804-96-6 Catalog No: AG003ZHW MDL No:
Product Description
Catalog Number:
AG003ZHW
Chemical Name:
4(3H)-Quinazolinone, 6-chloro-3-(1-piperidinyl)-
CAS Number:
89804-96-6
Molecular Formula:
C13H14ClN3O
Molecular Weight:
263.7228
IUPAC Name:
6-chloro-3-piperidin-1-ylquinazolin-4-one
InChI:
InChI=1S/C13H14ClN3O/c14-10-4-5-12-11(8-10)13(18)17(9-15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2
InChI Key:
QKUVPDKSYRJDMS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)n(cn2)N1CCCCC1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.725g/mol
Monoisotopic Mass:
263.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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