8-chloro-2-methyl-4aH-quinazolin-4-one

C9H7ClN2O — CID 71304085

IUPAC8-chloro-2-methyl-4aH-quinazolin-4-one
SMILESCC1=NC(=O)C2C=CC=C(Cl)C2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,6H,1H3
InChIKeyWTRVETYAYIGXMC-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.69
Rot. Bonds

About 8-chloro-2-methyl-4aH-quinazolin-4-one

8-chloro-2-methyl-4aH-quinazolin-4-one (PubChem CID 71304085) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 8-chloro-2-methyl-4aH-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-4aH-quinazolin-4-one
PubChem CID71304085
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name8-chloro-2-methyl-4aH-quinazolin-4-one
SMILESCC1=NC(=O)C2C=CC=C(Cl)C2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,6H,1H3
InChIKeyWTRVETYAYIGXMC-UHFFFAOYSA-N
XLogP1.69
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
2-chloro-6-fluoro-4aH-quinazolin-4-one
CID 71650346
7-fluoro-2-methyl-4aH-quinazolin-4-one
CID 75216199
5-chloro-2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 77218590
6-fluoro-2-methyl-4aH-quinazolin-4-one
CID 91668361
6-chloro-2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 138059330
4aH-quinazolin-4-one
CID 57015225
2-methyl-4aH-quinazolin-4-one
CID 57310190
6-bromo-2-chloro-4aH-quinazolin-4-one
CID 71651008
2-ethyl-4aH-quinazolin-4-one
CID 77520332
2-chloro-4aH-quinazolin-4-one
CID 77520340
4-oxo-4aH-quinazoline-2-carbonitrile
CID 86052507

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4aH-quinazolin-4-one?
The IUPAC name of 8-chloro-2-methyl-4aH-quinazolin-4-one (CID 71304085) is 8-chloro-2-methyl-4aH-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-4aH-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-methyl-4aH-quinazolin-4-one is CC1=NC(=O)C2C=CC=C(Cl)C2=N1.
What is the InChIKey of 8-chloro-2-methyl-4aH-quinazolin-4-one?
The InChIKey is WTRVETYAYIGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,6H,1H3.
What are the key properties of 8-chloro-2-methyl-4aH-quinazolin-4-one?
8-chloro-2-methyl-4aH-quinazolin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4aH-quinazolin-4-one is sourced from PubChem (CID 71304085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).