2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C15H14FN3O — CID 58269405

IUPAC2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cccc(F)c1)C2
InChIInChI=1S/C15H14FN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-3-2-4-11(16)5-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19)
InChIKeyAESTVRWPBYAJCQ-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.42
Rot. Bonds1

About 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 58269405) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID58269405
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC Name2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cccc(F)c1)C2
InChIInChI=1S/C15H14FN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-3-2-4-11(16)5-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19)
InChIKeyAESTVRWPBYAJCQ-UHFFFAOYSA-N
XLogP2.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 58269405) is 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1cccc(F)c1)C2.
What is the InChIKey of 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AESTVRWPBYAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20)9-3-2-4-11(16)5-9/h2-5,10H,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 271.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 58269405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).