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

C17H19N3O — CID 16584112

IUPAC4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-10-4-6-13(7-5-10)19-17-18-12(3)16-14(20-17)8-11(2)9-15(16)21/h4-7,11H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyNCGFPONOICUTOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds2

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

4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584112) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584112
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-10-4-6-13(7-5-10)19-17-18-12(3)16-14(20-17)8-11(2)9-15(16)21/h4-7,11H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyNCGFPONOICUTOI-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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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 16584112) is 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc(C)c3c(n2)CC(C)CC3=O)cc1.
What is the InChIKey of 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NCGFPONOICUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-4-6-13(7-5-10)19-17-18-12(3)16-14(20-17)8-11(2)9-15(16)21/h4-7,11H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
4,7-dimethyl-2-(4-methylanilino)-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 4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).