(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H16F2N2O2 — CID 29421011

IUPAC(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1F
InChIInChI=1S/C18H16F2N2O2/c1-10(12-4-2-3-5-15(12)20)21-18(24)14-9-17(23)22-16-8-11(19)6-7-13(14)16/h2-8,10,14H,9H2,1H3,(H,21,24)(H,22,23)/t10-,14-/m0/s1
InChIKeyDHPRHJYYLAUSMH-HZMBPMFUSA-N
MW330.33 g/mol
LogP3.27
Rot. Bonds3

About (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 29421011) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID29421011
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1F
InChIInChI=1S/C18H16F2N2O2/c1-10(12-4-2-3-5-15(12)20)21-18(24)14-9-17(23)22-16-8-11(19)6-7-13(14)16/h2-8,10,14H,9H2,1H3,(H,21,24)(H,22,23)/t10-,14-/m0/s1
InChIKeyDHPRHJYYLAUSMH-HZMBPMFUSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18137244
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86990620
7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
(4S)-4-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]-4-phenylbutanoic acid
CID 99644152
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
CID 120547282
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16597549
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 29421011) is (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1F.
What is the InChIKey of (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DHPRHJYYLAUSMH-HZMBPMFUSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-10(12-4-2-3-5-15(12)20)21-18(24)14-9-17(23)22-16-8-11(19)6-7-13(14)16/h2-8,10,14H,9H2,1H3,(H,21,24)(H,22,23)/t10-,14-/m0/s1.
What are the key properties of (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 29421011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).