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

C18H21N3O — CID 4886326

IUPAC2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C18H21N3O/c1-10-5-6-14(12(3)7-10)20-18-19-13(4)17-15(21-18)8-11(2)9-16(17)22/h5-7,11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyBHWZWQFQVIZWMF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.91
Rot. Bonds2

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

2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4886326) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4886326
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C18H21N3O/c1-10-5-6-14(12(3)7-10)20-18-19-13(4)17-15(21-18)8-11(2)9-16(17)22/h5-7,11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyBHWZWQFQVIZWMF-UHFFFAOYSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
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
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
1-[3-(2,4-Diaminoquinazolin-7-yl)phenyl]ethanone
CID 56659280
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
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-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104
5-Acetyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine
CID 943838
7,7-Dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 944643

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 4886326) is 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BHWZWQFQVIZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-10-5-6-14(12(3)7-10)20-18-19-13(4)17-15(21-18)8-11(2)9-16(17)22/h5-7,11H,8-9H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
2-(2,4-dimethylanilino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 295.39 g/mol, XLogP of 3.91, 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)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4886326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).