7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one

C18H15FN2O2 — CID 110668303

IUPAC7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15FN2O2/c1-11-8-13-4-7-15(20)10-16(13)21(18(11)23)17(22)9-12-2-5-14(19)6-3-12/h2-8,10H,9,20H2,1H3
InChIKeyNEXYMYDHPYQSOF-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.91
Rot. Bonds2

About 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one

7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one (PubChem CID 110668303) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one
PubChem CID110668303
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15FN2O2/c1-11-8-13-4-7-15(20)10-16(13)21(18(11)23)17(22)9-12-2-5-14(19)6-3-12/h2-8,10H,9,20H2,1H3
InChIKeyNEXYMYDHPYQSOF-UHFFFAOYSA-N
XLogP2.91
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.91
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 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one?
The IUPAC name of 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one (CID 110668303) is 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one.
What is the SMILES notation for 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one?
The canonical SMILES for 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one is Cc1cc2ccc(N)cc2n(C(=O)Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one?
The InChIKey is NEXYMYDHPYQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-8-13-4-7-15(20)10-16(13)21(18(11)23)17(22)9-12-2-5-14(19)6-3-12/h2-8,10H,9,20H2,1H3.
What are the key properties of 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one?
7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one has a molecular weight of 310.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-(4-fluorophenyl)acetyl]-3-methylquinolin-2-one is sourced from PubChem (CID 110668303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).