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

C17H19N3O — CID 4917731

IUPAC2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C17H19N3O/c1-10-4-5-14(12(3)6-10)19-17-18-9-13-15(20-17)7-11(2)8-16(13)21/h4-6,9,11H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyPYWBRBTZZZJXCF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds2

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

2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4917731) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4917731
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C17H19N3O/c1-10-4-5-14(12(3)6-10)19-17-18-9-13-15(20-17)7-11(2)8-16(13)21/h4-6,9,11H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyPYWBRBTZZZJXCF-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 72725631
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
4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53326214
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
1-[2-[(6-Ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 941014

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 4917731) is 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PYWBRBTZZZJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-4-5-14(12(3)6-10)19-17-18-9-13-15(20-17)7-11(2)8-16(13)21/h4-6,9,11H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4917731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).