7-chloro-4-(methylamino)-1H-quinazolin-2-one

C9H8ClN3O — CID 133059988

IUPAC7-chloro-4-(methylamino)-1H-quinazolin-2-one
SMILESCNc1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H8ClN3O/c1-11-8-6-3-2-5(10)4-7(6)12-9(14)13-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyHOCZQUJOOIAZJA-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.62
Rot. Bonds1

About 7-chloro-4-(methylamino)-1H-quinazolin-2-one

7-chloro-4-(methylamino)-1H-quinazolin-2-one (PubChem CID 133059988) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 7-chloro-4-(methylamino)-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(methylamino)-1H-quinazolin-2-one
PubChem CID133059988
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name7-chloro-4-(methylamino)-1H-quinazolin-2-one
SMILESCNc1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H8ClN3O/c1-11-8-6-3-2-5(10)4-7(6)12-9(14)13-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyHOCZQUJOOIAZJA-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1,4-dihydroquinazolin-2-amine
CID 13702393
7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
2-Amino-7-chloro-3,4-dihydroquinazoline
CID 10035245
3-(5-Chloro-2-methylphenyl)-1,1-dimethylurea
CID 551913
7-Chloro-1,4-dihydroquinazolin-2-amine;hydroiodide
CID 45266001
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
N-(5-Chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10444583

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(methylamino)-1H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-(methylamino)-1H-quinazolin-2-one (CID 133059988) is 7-chloro-4-(methylamino)-1H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(methylamino)-1H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(methylamino)-1H-quinazolin-2-one is CNc1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(methylamino)-1H-quinazolin-2-one?
The InChIKey is HOCZQUJOOIAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-11-8-6-3-2-5(10)4-7(6)12-9(14)13-8/h2-4H,1H3,(H2,11,12,13,14).
What are the key properties of 7-chloro-4-(methylamino)-1H-quinazolin-2-one?
7-chloro-4-(methylamino)-1H-quinazolin-2-one has a molecular weight of 209.64 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(methylamino)-1H-quinazolin-2-one is sourced from PubChem (CID 133059988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).