2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C19H13ClN2OS2 — CID 1010569

IUPAC2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H13ClN2OS2/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-10H,11H2,(H,21,23)
InChIKeyHXJMOBGXZBNPGF-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.61
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1010569) has the molecular formula C19H13ClN2OS2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1010569
Molecular FormulaC19H13ClN2OS2
Molecular Weight384.91 g/mol
Exact Mass384.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H13ClN2OS2/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-10H,11H2,(H,21,23)
InChIKeyHXJMOBGXZBNPGF-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 1010569) is 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HXJMOBGXZBNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS2/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-10H,11H2,(H,21,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 5.61, 4 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-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1010569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).