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

C22H19N3O — CID 52553649

IUPAC2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2cnc3ccccc3c2)c1C
InChIInChI=1S/C22H19N3O/c1-3-18-14(2)21(17-9-5-7-11-20(17)25-18)22(26)24-16-12-15-8-4-6-10-19(15)23-13-16/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKYNBUCKQUJTVKM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.91
Rot. Bonds3

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

2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide (PubChem CID 52553649) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
PubChem CID52553649
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2cnc3ccccc3c2)c1C
InChIInChI=1S/C22H19N3O/c1-3-18-14(2)21(17-9-5-7-11-20(17)25-18)22(26)24-16-12-15-8-4-6-10-19(15)23-13-16/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKYNBUCKQUJTVKM-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-6-ylquinoline-4-carboxamide
CID 167921429
N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide
CID 52554868
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 55990925
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 24685932
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
CID 4018923

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide (CID 52553649) is 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2cnc3ccccc3c2)c1C.
What is the InChIKey of 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide?
The InChIKey is KYNBUCKQUJTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-18-14(2)21(17-9-5-7-11-20(17)25-18)22(26)24-16-12-15-8-4-6-10-19(15)23-13-16/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide?
2-ethyl-3-methyl-N-quinolin-3-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-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 52553649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).