4-chloro-8-methyl-3H-quinazolin-2-one

C9H7ClN2O — CID 84773265

IUPAC4-chloro-8-methyl-3H-quinazolin-2-one
SMILESCc1cccc2c(Cl)[nH]c(=O)nc12
InChIInChI=1S/C9H7ClN2O/c1-5-3-2-4-6-7(5)11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyWIXJOLXHJZHIEH-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.88
Rot. Bonds

About 4-chloro-8-methyl-3H-quinazolin-2-one

4-chloro-8-methyl-3H-quinazolin-2-one (PubChem CID 84773265) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-8-methyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-chloro-8-methyl-3H-quinazolin-2-one
PubChem CID84773265
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-8-methyl-3H-quinazolin-2-one
SMILESCc1cccc2c(Cl)[nH]c(=O)nc12
InChIInChI=1S/C9H7ClN2O/c1-5-3-2-4-6-7(5)11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyWIXJOLXHJZHIEH-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-4-methyl-2(1H)-quinazolinone
CID 12427507
Fluoroquinazolinone
CID 129815083
4-Chloroquinazolin-2(3H)-one
CID 22335160
4,5-Dimethylquinazolin-2(1H)-one
CID 53817297
Dichloro-quinazolinone
CID 68518818
6-bromo-4-chloro-3H-quinazolin-2-one
CID 84806231
4-chloro-6-fluoro-3H-quinazolin-2-one
CID 84775015
4-chloro-7-fluoro-3H-quinazolin-2-one
CID 84775016
4-chloro-8-fluoro-3H-quinazolin-2-one
CID 84775017
4-Chloro-5-fluoroquinazolin-2-ol
CID 133056848
4-tert-butyl-7-chloro-3H-quinazolin-2-one
CID 20750398
4-tert-butyl-8-chloro-3H-quinazolin-2-one
CID 20750404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-3H-quinazolin-2-one?
The IUPAC name of 4-chloro-8-methyl-3H-quinazolin-2-one (CID 84773265) is 4-chloro-8-methyl-3H-quinazolin-2-one.
What is the SMILES notation for 4-chloro-8-methyl-3H-quinazolin-2-one?
The canonical SMILES for 4-chloro-8-methyl-3H-quinazolin-2-one is Cc1cccc2c(Cl)[nH]c(=O)nc12.
What is the InChIKey of 4-chloro-8-methyl-3H-quinazolin-2-one?
The InChIKey is WIXJOLXHJZHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-3-2-4-6-7(5)11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-chloro-8-methyl-3H-quinazolin-2-one?
4-chloro-8-methyl-3H-quinazolin-2-one has a molecular weight of 194.62 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-3H-quinazolin-2-one is sourced from PubChem (CID 84773265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).