N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H12ClN3O2S — CID 74768088

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2N1
InChIInChI=1S/C17H12ClN3O2S/c18-9-5-6-13-14(7-9)24-17(20-13)21-16(23)11-8-15(22)19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,19,22)(H,20,21,23)
InChIKeyNYXCBUNSFWUQFA-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.01
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 74768088) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID74768088
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2N1
InChIInChI=1S/C17H12ClN3O2S/c18-9-5-6-13-14(7-9)24-17(20-13)21-16(23)11-8-15(22)19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,19,22)(H,20,21,23)
InChIKeyNYXCBUNSFWUQFA-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 51717932
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038245
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 53498086
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47017094
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038266
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24591118

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 74768088) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2N1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NYXCBUNSFWUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c18-9-5-6-13-14(7-9)24-17(20-13)21-16(23)11-8-15(22)19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 357.82 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74768088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).