2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

C20H14ClN3OS — CID 2862733

IUPAC2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C20H14ClN3OS/c1-12-8-9-22-19(10-12)24-20(25)14-11-16(17-6-7-18(21)26-17)23-15-5-3-2-4-13(14)15/h2-11H,1H3,(H,22,24,25)
InChIKeyNXDRGLFAZPBWFK-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.57
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 2862733) has the molecular formula C20H14ClN3OS and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID2862733
Molecular FormulaC20H14ClN3OS
Molecular Weight379.87 g/mol
Exact Mass379.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C20H14ClN3OS/c1-12-8-9-22-19(10-12)24-20(25)14-11-16(17-6-7-18(21)26-17)23-15-5-3-2-4-13(14)15/h2-11H,1H3,(H,22,24,25)
InChIKeyNXDRGLFAZPBWFK-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 2862733) is 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1ccnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is NXDRGLFAZPBWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3OS/c1-12-8-9-22-19(10-12)24-20(25)14-11-16(17-6-7-18(21)26-17)23-15-5-3-2-4-13(14)15/h2-11H,1H3,(H,22,24,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 5.57, 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-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 2862733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).