7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one

C17H19N3O — CID 944643

IUPAC7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQNTJTLOEIHXVSM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds2

About 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (PubChem CID 944643) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
PubChem CID944643
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQNTJTLOEIHXVSM-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
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
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
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
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
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
(6aS,7S,10aS)-2-anilino-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline-9-carbonitrile
CID 118291647
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (CID 944643) is 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The InChIKey is QNTJTLOEIHXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).