2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one

C17H17N3O — CID 137101004

IUPAC2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
SMILESCc1ccc(CNc2ccc3nc(C)[nH]c(=O)c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16-15(9-14)17(21)20-12(2)19-16/h3-9,18H,10H2,1-2H3,(H,19,20,21)
InChIKeyRKGQIIBZCYZZSJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.15
Rot. Bonds3

About 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one

2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one (PubChem CID 137101004) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
PubChem CID137101004
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
SMILESCc1ccc(CNc2ccc3nc(C)[nH]c(=O)c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16-15(9-14)17(21)20-12(2)19-16/h3-9,18H,10H2,1-2H3,(H,19,20,21)
InChIKeyRKGQIIBZCYZZSJ-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
2-methyl-6-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 137308278
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzaldehyde
CID 137084033
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
2-methyl-6-[(2-thiophen-2-ylethylamino)methyl]-3H-quinazolin-4-one
CID 154630764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one (CID 137101004) is 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one is Cc1ccc(CNc2ccc3nc(C)[nH]c(=O)c3c2)cc1.
What is the InChIKey of 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one?
The InChIKey is RKGQIIBZCYZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16-15(9-14)17(21)20-12(2)19-16/h3-9,18H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one?
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137101004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).