8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide

C22H18N4O — CID 1261792

IUPAC8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)n1
InChIInChI=1S/C22H18N4O/c1-14-6-3-9-17-18(22(27)26-20-10-4-7-15(2)24-20)12-19(25-21(14)17)16-8-5-11-23-13-16/h3-13H,1-2H3,(H,24,26,27)
InChIKeyKPEWZZLVEKXBTD-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.56
Rot. Bonds3

About 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide

8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261792) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261792
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)n1
InChIInChI=1S/C22H18N4O/c1-14-6-3-9-17-18(22(27)26-20-10-4-7-15(2)24-20)12-19(25-21(14)17)16-8-5-11-23-13-16/h3-13H,1-2H3,(H,24,26,27)
InChIKeyKPEWZZLVEKXBTD-UHFFFAOYSA-N
XLogP4.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261792) is 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)n1.
What is the InChIKey of 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KPEWZZLVEKXBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-6-3-9-17-18(22(27)26-20-10-4-7-15(2)24-20)12-19(25-21(14)17)16-8-5-11-23-13-16/h3-13H,1-2H3,(H,24,26,27).
What are the key properties of 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide?
8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(6-methyl-2-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).