2-amino-8-chloro-3-methylquinazolin-4-one

C9H8ClN3O — CID 84780957

IUPAC2-amino-8-chloro-3-methylquinazolin-4-one
SMILESCn1c(N)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C9H8ClN3O/c1-13-8(14)5-3-2-4-6(10)7(5)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChIKeyDZHFKRCHQFBZHY-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.17
Rot. Bonds

About 2-amino-8-chloro-3-methylquinazolin-4-one

2-amino-8-chloro-3-methylquinazolin-4-one (PubChem CID 84780957) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-amino-8-chloro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-8-chloro-3-methylquinazolin-4-one
PubChem CID84780957
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-amino-8-chloro-3-methylquinazolin-4-one
SMILESCn1c(N)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C9H8ClN3O/c1-13-8(14)5-3-2-4-6(10)7(5)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChIKeyDZHFKRCHQFBZHY-UHFFFAOYSA-N
XLogP1.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150906
2,3-ditert-butyl-8-chloroquinazolin-4-one
CID 90250761
6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one
CID 919306
8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484630
8-chloro-2-methyl-3,1-benzoxazin-4-one
CID 18444255
2-[(1S)-1-aminoethyl]-8-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235637
8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 155517633
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144852752
2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 166470261
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-chloro-3-methylquinazolin-4-one?
The IUPAC name of 2-amino-8-chloro-3-methylquinazolin-4-one (CID 84780957) is 2-amino-8-chloro-3-methylquinazolin-4-one.
What is the SMILES notation for 2-amino-8-chloro-3-methylquinazolin-4-one?
The canonical SMILES for 2-amino-8-chloro-3-methylquinazolin-4-one is Cn1c(N)nc2c(Cl)cccc2c1=O.
What is the InChIKey of 2-amino-8-chloro-3-methylquinazolin-4-one?
The InChIKey is DZHFKRCHQFBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-13-8(14)5-3-2-4-6(10)7(5)12-9(13)11/h2-4H,1H3,(H2,11,12).
What are the key properties of 2-amino-8-chloro-3-methylquinazolin-4-one?
2-amino-8-chloro-3-methylquinazolin-4-one has a molecular weight of 209.64 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-chloro-3-methylquinazolin-4-one is sourced from PubChem (CID 84780957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).