2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O2 — CID 3773077

IUPAC2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-7-14-13(15(20)8-10)9-17-16(19-14)18-11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFAZOGWIEGACWAA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3773077) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3773077
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-7-14-13(15(20)8-10)9-17-16(19-14)18-11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFAZOGWIEGACWAA-UHFFFAOYSA-N
XLogP2.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamide
CID 368697
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide
CID 10253524
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N-(7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylbenzamide
CID 663468
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide
CID 663727
3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
CID 664084
2-[(4-methoxyphenyl)amino]-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664248
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
2-[(4-fluorophenyl)amino]-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665489
2-[(4-ethylphenyl)amino]-7-(2-furyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665816
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 3773077) is 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FAZOGWIEGACWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-14-13(15(20)8-10)9-17-16(19-14)18-11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 283.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3773077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).