N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H15N3OS — CID 2331754

IUPACN-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)nc1
InChIInChI=1S/C20H15N3OS/c1-13-8-9-19(21-12-13)23-20(24)15-11-17(18-7-4-10-25-18)22-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,21,23,24)
InChIKeyZWGJBYAPMBDVPV-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.92
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2331754) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2331754
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)nc1
InChIInChI=1S/C20H15N3OS/c1-13-8-9-19(21-12-13)23-20(24)15-11-17(18-7-4-10-25-18)22-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,21,23,24)
InChIKeyZWGJBYAPMBDVPV-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2331754) is N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ZWGJBYAPMBDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-8-9-19(21-12-13)23-20(24)15-11-17(18-7-4-10-25-18)22-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,21,23,24).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2331754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).