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

C16H17N3O — CID 16584098

IUPAC7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C16H17N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyBAFPXHFNDNHTER-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds2

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

7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584098) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584098
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C16H17N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyBAFPXHFNDNHTER-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 16584098) is 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1.
What is the InChIKey of 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BAFPXHFNDNHTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).