7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O2 — CID 18138489

IUPAC7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCCc2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C20H21FN2O2/c21-15-9-10-16-17(13-19(24)23-18(16)12-15)20(25)22-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,22,25)(H,23,24)
InChIKeyOVRHVYHKYKKLDY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.39
Rot. Bonds6

About 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18138489) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18138489
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCCc2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C20H21FN2O2/c21-15-9-10-16-17(13-19(24)23-18(16)12-15)20(25)22-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,22,25)(H,23,24)
InChIKeyOVRHVYHKYKKLDY-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18138489) is 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCCCc2ccccc2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is OVRHVYHKYKKLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-15-9-10-16-17(13-19(24)23-18(16)12-15)20(25)22-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,22,25)(H,23,24).
What are the key properties of 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18138489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).