N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C21H17N3OS — CID 1009464

IUPACN-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)n1
InChIInChI=1S/C21H17N3OS/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25)
InChIKeyJOWFSCOYPLHQCB-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.23
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 1009464) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID1009464
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)n1
InChIInChI=1S/C21H17N3OS/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25)
InChIKeyJOWFSCOYPLHQCB-UHFFFAOYSA-N
XLogP5.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 1009464) is N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is JOWFSCOYPLHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1009464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).