6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

C17H16FN3O — CID 1456539

IUPAC6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-2-16-20-15-8-7-13(19)9-14(15)17(22)21(16)10-11-3-5-12(18)6-4-11/h3-9H,2,10,19H2,1H3
InChIKeyPDXUSVMVPPBGQV-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.73
Rot. Bonds3

About 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one (PubChem CID 1456539) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
PubChem CID1456539
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-2-16-20-15-8-7-13(19)9-14(15)17(22)21(16)10-11-3-5-12(18)6-4-11/h3-9H,2,10,19H2,1H3
InChIKeyPDXUSVMVPPBGQV-UHFFFAOYSA-N
XLogP2.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one (CID 1456539) is 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one is CCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The InChIKey is PDXUSVMVPPBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-16-20-15-8-7-13(19)9-14(15)17(22)21(16)10-11-3-5-12(18)6-4-11/h3-9H,2,10,19H2,1H3.
What are the key properties of 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one has a molecular weight of 297.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 1456539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).