N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H12FN3O2S — CID 18138508

IUPACN-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3ccccc3s2)c2ccc(F)cc2N1
InChIInChI=1S/C17H12FN3O2S/c18-9-5-6-10-11(8-15(22)19-13(10)7-9)16(23)21-17-20-12-3-1-2-4-14(12)24-17/h1-7,11H,8H2,(H,19,22)(H,20,21,23)
InChIKeySBCSIZFQFCJXDL-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.50
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18138508) has the molecular formula C17H12FN3O2S and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18138508
Molecular FormulaC17H12FN3O2S
Molecular Weight341.37 g/mol
Exact Mass341.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3ccccc3s2)c2ccc(F)cc2N1
InChIInChI=1S/C17H12FN3O2S/c18-9-5-6-10-11(8-15(22)19-13(10)7-9)16(23)21-17-20-12-3-1-2-4-14(12)24-17/h1-7,11H,8H2,(H,19,22)(H,20,21,23)
InChIKeySBCSIZFQFCJXDL-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74768088
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51513570
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154878580
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42934604

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18138508) is N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2nc3ccccc3s2)c2ccc(F)cc2N1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SBCSIZFQFCJXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2S/c18-9-5-6-10-11(8-15(22)19-13(10)7-9)16(23)21-17-20-12-3-1-2-4-14(12)24-17/h1-7,11H,8H2,(H,19,22)(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18138508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).