2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide

C22H24N2O — CID 3558127

IUPAC2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2O/c1-4-16-9-11-17(12-10-16)21-13-19(22(25)23-14-15(2)3)18-7-5-6-8-20(18)24-21/h5-13,15H,4,14H2,1-3H3,(H,23,25)
InChIKeyJCHSYCSDFUYRED-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide

2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 3558127) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID3558127
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2O/c1-4-16-9-11-17(12-10-16)21-13-19(22(25)23-14-15(2)3)18-7-5-6-8-20(18)24-21/h5-13,15H,4,14H2,1-3H3,(H,23,25)
InChIKeyJCHSYCSDFUYRED-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 4286720
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide (CID 3558127) is 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is JCHSYCSDFUYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-16-9-11-17(12-10-16)21-13-19(22(25)23-14-15(2)3)18-7-5-6-8-20(18)24-21/h5-13,15H,4,14H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).