(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C19H19FN2O5 — CID 25496338

IUPAC(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O5/c1-25-15-7-11(8-16(26-2)18(15)27-3)21-19(24)13-9-17(23)22-14-6-10(20)4-5-12(13)14/h4-8,13H,9H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyJHSOGBFAVCUNMB-ZDUSSCGKSA-N
MW374.37 g/mol
LogP2.92
Rot. Bonds5

About (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 25496338) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID25496338
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O5/c1-25-15-7-11(8-16(26-2)18(15)27-3)21-19(24)13-9-17(23)22-14-6-10(20)4-5-12(13)14/h4-8,13H,9H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyJHSOGBFAVCUNMB-ZDUSSCGKSA-N
XLogP2.92
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
N-(4-tert-butylsulfanylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166183509
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135411
(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110571
(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 87006911
N-[3-(tert-butylsulfamoyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535272
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 25496338) is (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc(OC)c1OC.
What is the InChIKey of (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is JHSOGBFAVCUNMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-25-15-7-11(8-16(26-2)18(15)27-3)21-19(24)13-9-17(23)22-14-6-10(20)4-5-12(13)14/h4-8,13H,9H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 25496338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).