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

C21H23FN2O2 — CID 26110571

IUPAC(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-3-4-5-14-6-9-16(10-7-14)23-21(26)18-13-20(25)24-19-12-15(22)8-11-17(18)19/h6-12,18H,2-5,13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyLMDAHWGAPDLFEE-GOSISDBHSA-N
MW354.43 g/mol
LogP4.62
Rot. Bonds6

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

(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 26110571) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID26110571
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-3-4-5-14-6-9-16(10-7-14)23-21(26)18-13-20(25)24-19-12-15(22)8-11-17(18)19/h6-12,18H,2-5,13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyLMDAHWGAPDLFEE-GOSISDBHSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.62
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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Related Compounds

(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 9430047
N-(4-tert-butylsulfanylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166183509
N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 87006911
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135411
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 26110571) is (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LMDAHWGAPDLFEE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-3-4-5-14-6-9-16(10-7-14)23-21(26)18-13-20(25)24-19-12-15(22)8-11-17(18)19/h6-12,18H,2-5,13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 26110571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).