N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide

C21H22N2O — CID 9191575

IUPACN-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H22N2O/c1-5-17-20(15(4)16-8-6-7-9-18(16)22-17)21(24)23-19-12-13(2)10-11-14(19)3/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyMQVMHCGFRQDWQP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.97
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide

N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide (PubChem CID 9191575) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
PubChem CID9191575
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H22N2O/c1-5-17-20(15(4)16-8-6-7-9-18(16)22-17)21(24)23-19-12-13(2)10-11-14(19)3/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyMQVMHCGFRQDWQP-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502520
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501206
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide (CID 9191575) is N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide is CCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The InChIKey is MQVMHCGFRQDWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-5-17-20(15(4)16-8-6-7-9-18(16)22-17)21(24)23-19-12-13(2)10-11-14(19)3/h6-12H,5H2,1-4H3,(H,23,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 9191575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).