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

C21H22N2O — CID 856047

IUPACN-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2cc(C)ccc2C)c1C
InChIInChI=1S/C21H22N2O/c1-5-17-15(4)20(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)
InChIKeyBHMWVTLYVRUVCR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.97
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide (PubChem CID 856047) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide
PubChem CID856047
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2cc(C)ccc2C)c1C
InChIInChI=1S/C21H22N2O/c1-5-17-15(4)20(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)
InChIKeyBHMWVTLYVRUVCR-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-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
SB 222200
CID 6604009
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
9-Acridinecarboxaldehyde
CID 98663
2-Benzoylquinoline
CID 727029
SB 414240
CID 9806459
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CID 44570859
Acetophenone, 4'-(9-acridinylamino)-
CID 51972

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide (CID 856047) is N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2cc(C)ccc2C)c1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The InChIKey is BHMWVTLYVRUVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-5-17-15(4)20(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-3-methylquinoline-4-carboxamide?
N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-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-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 856047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).