2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide

C19H12ClN3OS — CID 4119741

IUPAC2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H12ClN3OS/c20-17-9-8-16(25-17)15-11-13(12-5-1-2-6-14(12)22-15)19(24)23-18-7-3-4-10-21-18/h1-11H,(H,21,23,24)
InChIKeyODTUVUICYOIYRF-UHFFFAOYSA-N
MW365.85 g/mol
LogP5.26
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4119741) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4119741
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H12ClN3OS/c20-17-9-8-16(25-17)15-11-13(12-5-1-2-6-14(12)22-15)19(24)23-18-7-3-4-10-21-18/h1-11H,(H,21,23,24)
InChIKeyODTUVUICYOIYRF-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

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Related Compounds

N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
2-chloro-N-(6-methylpyridin-2-yl)quinoline-4-carboxamide
CID 949092
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 950075
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
N-(5-chloropyridin-2-yl)quinoline-2-carboxamide
CID 886118
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
3-chloro-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376800
3-chloro-N-[4-methyl-2-(pyridin-2-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376999
5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxamide
CID 50942630
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxamide
CID 57402606

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide (CID 4119741) is 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is ODTUVUICYOIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-17-9-8-16(25-17)15-11-13(12-5-1-2-6-14(12)22-15)19(24)23-18-7-3-4-10-21-18/h1-11H,(H,21,23,24).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-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-(5-chlorothiophen-2-yl)-N-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4119741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).