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

C15H14ClN3O — CID 11948703

IUPAC2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H14ClN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-2-4-11(16)5-3-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19)
InChIKeyIIVXUCAWQOSCPY-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.93
Rot. Bonds1

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

2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 11948703) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID11948703
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H14ClN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-2-4-11(16)5-3-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19)
InChIKeyIIVXUCAWQOSCPY-UHFFFAOYSA-N
XLogP2.93
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 11948703) is 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is IIVXUCAWQOSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-2-4-11(16)5-3-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 287.75 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 11948703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).