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

C22H19N3OS — CID 1220150

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1
InChIInChI=1S/C22H19N3OS/c1-13-10-14(2)23-21(11-13)25-22(26)17-12-19(20-9-8-15(3)27-20)24-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,23,25,26)
InChIKeyAKYJXNOSAQPJEJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.54
Rot. Bonds3

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

N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 1220150) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID1220150
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1
InChIInChI=1S/C22H19N3OS/c1-13-10-14(2)23-21(11-13)25-22(26)17-12-19(20-9-8-15(3)27-20)24-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,23,25,26)
InChIKeyAKYJXNOSAQPJEJ-UHFFFAOYSA-N
XLogP5.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 1220150) is N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is AKYJXNOSAQPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-13-10-14(2)23-21(11-13)25-22(26)17-12-19(20-9-8-15(3)27-20)24-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,23,25,26).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1220150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).