N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C25H30N2O — CID 4124250

IUPACN-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-5-6-7-10-17-26-25(28)23-19(3)24(20-15-13-18(2)14-16-20)27-22-12-9-8-11-21(22)23/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,26,28)
InChIKeyHYTAUETUMQLIAM-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.22
Rot. Bonds8

About N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4124250) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4124250
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-5-6-7-10-17-26-25(28)23-19(3)24(20-15-13-18(2)14-16-20)27-22-12-9-8-11-21(22)23/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,26,28)
InChIKeyHYTAUETUMQLIAM-UHFFFAOYSA-N
XLogP6.22
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 ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7027596
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4195207
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4124250) is N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is CCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HYTAUETUMQLIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-5-6-7-10-17-26-25(28)23-19(3)24(20-15-13-18(2)14-16-20)27-22-12-9-8-11-21(22)23/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,26,28).
What are the key properties of N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4124250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).