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

C19H16FN3O3S — CID 41406742

IUPAC(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)o2)cs1
InChIInChI=1S/C19H16FN3O3S/c1-10-22-16(9-27-10)17-5-3-12(26-17)8-21-19(25)14-7-18(24)23-15-6-11(20)2-4-13(14)15/h2-6,9,14H,7-8H2,1H3,(H,21,25)(H,23,24)/t14-/m0/s1
InChIKeyDZDLXLMXFADJEG-AWEZNQCLSA-N
MW385.42 g/mol
LogP3.59
Rot. Bonds4

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

(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 41406742) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID41406742
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)o2)cs1
InChIInChI=1S/C19H16FN3O3S/c1-10-22-16(9-27-10)17-5-3-12(26-17)8-21-19(25)14-7-18(24)23-15-6-11(20)2-4-13(14)15/h2-6,9,14H,7-8H2,1H3,(H,21,25)(H,23,24)/t14-/m0/s1
InChIKeyDZDLXLMXFADJEG-AWEZNQCLSA-N
XLogP3.59
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 41406742) is (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)o2)cs1.
What is the InChIKey of (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DZDLXLMXFADJEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-10-22-16(9-27-10)17-5-3-12(26-17)8-21-19(25)14-7-18(24)23-15-6-11(20)2-4-13(14)15/h2-6,9,14H,7-8H2,1H3,(H,21,25)(H,23,24)/t14-/m0/s1.
What are the key properties of (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 41406742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).