2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide

C22H19N3O — CID 167921429

IUPAC2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc3ncccc3c2)c1C
InChIInChI=1S/C22H19N3O/c1-3-18-14(2)21(17-8-4-5-9-20(17)25-18)22(26)24-16-10-11-19-15(13-16)7-6-12-23-19/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyOYTXCMZUUJEMLF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.91
Rot. Bonds3

About 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide

2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide (PubChem CID 167921429) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
PubChem CID167921429
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc3ncccc3c2)c1C
InChIInChI=1S/C22H19N3O/c1-3-18-14(2)21(17-8-4-5-9-20(17)25-18)22(26)24-16-10-11-19-15(13-16)7-6-12-23-19/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyOYTXCMZUUJEMLF-UHFFFAOYSA-N
XLogP4.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 55990925
N-quinolin-6-ylbenzamide
CID 833617
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 24685932
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide
CID 52554868
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide?
The IUPAC name of 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide (CID 167921429) is 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2ccc3ncccc3c2)c1C.
What is the InChIKey of 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide?
The InChIKey is OYTXCMZUUJEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-18-14(2)21(17-8-4-5-9-20(17)25-18)22(26)24-16-10-11-19-15(13-16)7-6-12-23-19/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide?
2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide is sourced from PubChem (CID 167921429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).