N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C26H32N2O — CID 7027596

IUPACN-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C26H32N2O/c1-5-7-10-20(6-2)17-27-26(29)24-19(4)25(21-15-13-18(3)14-16-21)28-23-12-9-8-11-22(23)24/h8-9,11-16,20H,5-7,10,17H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyQNQACJBCKNZFOM-FQEVSTJZSA-N
MW388.56 g/mol
LogP6.46
Rot. Bonds8

About N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 7027596) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID7027596
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C26H32N2O/c1-5-7-10-20(6-2)17-27-26(29)24-19(4)25(21-15-13-18(3)14-16-21)28-23-12-9-8-11-22(23)24/h8-9,11-16,20H,5-7,10,17H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyQNQACJBCKNZFOM-FQEVSTJZSA-N
XLogP6.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3540743
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4195207
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 7027596) is N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is CCCC[C@H](CC)CNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is QNQACJBCKNZFOM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H32N2O/c1-5-7-10-20(6-2)17-27-26(29)24-19(4)25(21-15-13-18(3)14-16-21)28-23-12-9-8-11-22(23)24/h8-9,11-16,20H,5-7,10,17H2,1-4H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 7027596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).