8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one

C17H19N3O — CID 57389063

IUPAC8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1
InChIInChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyLKNXEXHWNWMONZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.78
Rot. Bonds2

About 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one

8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one (PubChem CID 57389063) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one.

Molecular Properties

Compound Name8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
PubChem CID57389063
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1
InChIInChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyLKNXEXHWNWMONZ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethyl-2-(4-methylanilino)-7,8-dihydroquinazolin-5-one
CID 71813137
2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665694
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285739
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
3-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]benzonitrile
CID 169316254
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The IUPAC name of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one (CID 57389063) is 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one.
What is the SMILES notation for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The canonical SMILES for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one is Cc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1.
What is the InChIKey of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The InChIKey is LKNXEXHWNWMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one is sourced from PubChem (CID 57389063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).