(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H16FN3O2S — CID 94007045

IUPAC(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCc1nc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc1C
InChIInChI=1S/C16H16FN3O2S/c1-3-12-8(2)23-16(19-12)20-15(22)11-7-14(21)18-13-6-9(17)4-5-10(11)13/h4-6,11H,3,7H2,1-2H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
InChIKeySWCXPRSUGPDINX-NSHDSACASA-N
MW333.39 g/mol
LogP3.22
Rot. Bonds3

About (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 94007045) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID94007045
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCc1nc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc1C
InChIInChI=1S/C16H16FN3O2S/c1-3-12-8(2)23-16(19-12)20-15(22)11-7-14(21)18-13-6-9(17)4-5-10(11)13/h4-6,11H,3,7H2,1-2H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
InChIKeySWCXPRSUGPDINX-NSHDSACASA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18138508
ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 78843514
(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31158277
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 146127538
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110571
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 94007045) is (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCc1nc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc1C.
What is the InChIKey of (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SWCXPRSUGPDINX-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-3-12-8(2)23-16(19-12)20-15(22)11-7-14(21)18-13-6-9(17)4-5-10(11)13/h4-6,11H,3,7H2,1-2H3,(H,18,21)(H,19,20,22)/t11-/m0/s1.
What are the key properties of (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94007045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).