N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide

C20H19FN2O — CID 42750116

IUPACN-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN2O/c1-2-3-11-22-20(24)17-13-19(14-7-5-4-6-8-14)23-18-10-9-15(21)12-16(17)18/h4-10,12-13H,2-3,11H2,1H3,(H,22,24)
InChIKeyVOLTZBPBCPMPGT-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.57
Rot. Bonds5

About N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide

N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide (PubChem CID 42750116) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
PubChem CID42750116
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN2O/c1-2-3-11-22-20(24)17-13-19(14-7-5-4-6-8-14)23-18-10-9-15(21)12-16(17)18/h4-10,12-13H,2-3,11H2,1H3,(H,22,24)
InChIKeyVOLTZBPBCPMPGT-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide (CID 42750116) is N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide?
The InChIKey is VOLTZBPBCPMPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-2-3-11-22-20(24)17-13-19(14-7-5-4-6-8-14)23-18-10-9-15(21)12-16(17)18/h4-10,12-13H,2-3,11H2,1H3,(H,22,24).
What are the key properties of N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide?
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 42750116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).