5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide

C18H16FN3O2 — CID 82212701

IUPAC5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(CCc2ccc(F)cc2)c2cccc(N)c2c1=O
InChIInChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)8-9-22-10-13(18(21)24)17(23)16-14(20)2-1-3-15(16)22/h1-7,10H,8-9,20H2,(H2,21,24)
InChIKeyNWQBHTMMSXONMM-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide

5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide (PubChem CID 82212701) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
PubChem CID82212701
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(CCc2ccc(F)cc2)c2cccc(N)c2c1=O
InChIInChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)8-9-22-10-13(18(21)24)17(23)16-14(20)2-1-3-15(16)22/h1-7,10H,8-9,20H2,(H2,21,24)
InChIKeyNWQBHTMMSXONMM-UHFFFAOYSA-N
XLogP2.06
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
CID 82212891
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide (CID 82212701) is 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide is NC(=O)c1cn(CCc2ccc(F)cc2)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is NWQBHTMMSXONMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)8-9-22-10-13(18(21)24)17(23)16-14(20)2-1-3-15(16)22/h1-7,10H,8-9,20H2,(H2,21,24).
What are the key properties of 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide?
5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).