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

C19H15FN4O2S — CID 31158277

IUPAC(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1-c1ccccn1
InChIInChI=1S/C19H15FN4O2S/c1-10-17(14-4-2-3-7-21-14)27-19(22-10)24-18(26)13-9-16(25)23-15-8-11(20)5-6-12(13)15/h2-8,13H,9H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1
InChIKeySJIRZPMGLBWWCN-CYBMUJFWSA-N
MW382.42 g/mol
LogP3.72
Rot. Bonds3

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

(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 31158277) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID31158277
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1-c1ccccn1
InChIInChI=1S/C19H15FN4O2S/c1-10-17(14-4-2-3-7-21-14)27-19(22-10)24-18(26)13-9-16(25)23-15-8-11(20)5-6-12(13)15/h2-8,13H,9H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1
InChIKeySJIRZPMGLBWWCN-CYBMUJFWSA-N
XLogP3.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18138508
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176222
1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404152
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
(4S)-7-fluoro-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94023245
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29421011

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (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) is (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1-c1ccccn1.
What is the InChIKey of (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SJIRZPMGLBWWCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-10-17(14-4-2-3-7-21-14)27-19(22-10)24-18(26)13-9-16(25)23-15-8-11(20)5-6-12(13)15/h2-8,13H,9H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1.
What are the key properties of (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 31158277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).