2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C15H15N3O — CID 2978447

IUPAC2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3ccccc3)nc2C1
InChIInChI=1S/C15H15N3O/c1-10-7-13-12(14(19)8-10)9-16-15(18-13)17-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyJPPUUZHXXFEOQF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.99
Rot. Bonds2

About 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one

2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2978447) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2978447
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3ccccc3)nc2C1
InChIInChI=1S/C15H15N3O/c1-10-7-13-12(14(19)8-10)9-16-15(18-13)17-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyJPPUUZHXXFEOQF-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 2978447) is 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(Nc3ccccc3)nc2C1.
What is the InChIKey of 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JPPUUZHXXFEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-13-12(14(19)8-10)9-16-15(18-13)17-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 253.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2978447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).