4-(aminomethyl)-6-chloro-3H-quinazolin-2-one

C9H8ClN3O — CID 105463660

IUPAC4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
SMILESNCc1[nH]c(=O)nc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c10-5-1-2-7-6(3-5)8(4-11)13-9(14)12-7/h1-3H,4,11H2,(H,12,13,14)
InChIKeyRWCLQMHPIUBLOC-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.04
Rot. Bonds1

About 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one

4-(aminomethyl)-6-chloro-3H-quinazolin-2-one (PubChem CID 105463660) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
PubChem CID105463660
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
SMILESNCc1[nH]c(=O)nc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c10-5-1-2-7-6(3-5)8(4-11)13-9(14)12-7/h1-3H,4,11H2,(H,12,13,14)
InChIKeyRWCLQMHPIUBLOC-UHFFFAOYSA-N
XLogP1.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
CID 105499859
7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
CID 105498477
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
2-(5-chloro-2H-indazol-3-yl)ethanamine
CID 55254326
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
CID 105475154
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one?
The IUPAC name of 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one (CID 105463660) is 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one is NCc1[nH]c(=O)nc2ccc(Cl)cc12.
What is the InChIKey of 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one?
The InChIKey is RWCLQMHPIUBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-5-1-2-7-6(3-5)8(4-11)13-9(14)12-7/h1-3H,4,11H2,(H,12,13,14).
What are the key properties of 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one?
4-(aminomethyl)-6-chloro-3H-quinazolin-2-one has a molecular weight of 209.64 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-chloro-3H-quinazolin-2-one is sourced from PubChem (CID 105463660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).