7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O — CID 665688

IUPAC7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1
InChIInChI=1S/C16H17N3O/c1-10-4-3-5-12(6-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWNVSUSNARMTZTD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds2

About 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665688) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665688
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1
InChIInChI=1S/C16H17N3O/c1-10-4-3-5-12(6-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWNVSUSNARMTZTD-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156
4-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzenesulfonamide
CID 145950373
4-((5-Oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino)benzenesulfonamide
CID 145953493
4-[(7,7-Dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)amino]benzenesulfonamide
CID 145957236

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 665688) is 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1.
What is the InChIKey of 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WNVSUSNARMTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-4-3-5-12(6-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).