N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C25H30N2O — CID 3540743

IUPACN-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-6-11-19(5-2)17-26-25(28)22-16-24(20-12-9-10-18(3)15-20)27-23-14-8-7-13-21(22)23/h7-10,12-16,19H,4-6,11,17H2,1-3H3,(H,26,28)
InChIKeyOIOAFWLVTAQFRU-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.16
Rot. Bonds8

About N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 3540743) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID3540743
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-6-11-19(5-2)17-26-25(28)22-16-24(20-12-9-10-18(3)15-20)27-23-14-8-7-13-21(22)23/h7-10,12-16,19H,4-6,11,17H2,1-3H3,(H,26,28)
InChIKeyOIOAFWLVTAQFRU-UHFFFAOYSA-N
XLogP6.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7027596
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
butyl 2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate
CID 4298118
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-ethylhexyl]quinoline-4-carboxamide
CID 92772039

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 3540743) is N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide is CCCCC(CC)CNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12.
What is the InChIKey of N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is OIOAFWLVTAQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-6-11-19(5-2)17-26-25(28)22-16-24(20-12-9-10-18(3)15-20)27-23-14-8-7-13-21(22)23/h7-10,12-16,19H,4-6,11,17H2,1-3H3,(H,26,28).
What are the key properties of N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3540743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).