2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide

C19H12ClN3OS — CID 55823361

IUPAC2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H12ClN3OS/c20-17-8-4-13-11-14(3-7-16(13)23-17)18(24)22-15-5-1-12(2-6-15)19-21-9-10-25-19/h1-11H,(H,22,24)
InChIKeyRAJUOVCAPHSXLT-UHFFFAOYSA-N
MW365.85 g/mol
LogP5.26
Rot. Bonds3

About 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide

2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide (PubChem CID 55823361) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
PubChem CID55823361
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H12ClN3OS/c20-17-8-4-13-11-14(3-7-16(13)23-17)18(24)22-15-5-1-12(2-6-15)19-21-9-10-25-19/h1-11H,(H,22,24)
InChIKeyRAJUOVCAPHSXLT-UHFFFAOYSA-N
XLogP5.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.85
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795282
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
CID 55731814
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55875358
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide (CID 55823361) is 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide?
The InChIKey is RAJUOVCAPHSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-17-8-4-13-11-14(3-7-16(13)23-17)18(24)22-15-5-1-12(2-6-15)19-21-9-10-25-19/h1-11H,(H,22,24).
What are the key properties of 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide?
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide has a molecular weight of 365.85 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 55823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).