2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide

C25H28Cl2N2O — CID 5165996

IUPAC2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C25H28Cl2N2O/c1-4-6-9-17(5-2)15-28-25(30)23-16(3)24(19-13-12-18(26)14-21(19)27)29-22-11-8-7-10-20(22)23/h7-8,10-14,17H,4-6,9,15H2,1-3H3,(H,28,30)
InChIKeyMUBLEBNXEUUUIW-UHFFFAOYSA-N
MW443.42 g/mol
LogP7.46
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide (PubChem CID 5165996) has the molecular formula C25H28Cl2N2O and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
PubChem CID5165996
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.42 g/mol
Exact Mass442.16
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C25H28Cl2N2O/c1-4-6-9-17(5-2)15-28-25(30)23-16(3)24(19-13-12-18(26)14-21(19)27)29-22-11-8-7-10-20(22)23/h7-8,10-14,17H,4-6,9,15H2,1-3H3,(H,28,30)
InChIKeyMUBLEBNXEUUUIW-UHFFFAOYSA-N
XLogP7.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7027596
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(2-ethylhexyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3540743

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide (CID 5165996) is 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide is CCCCC(CC)CNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide?
The InChIKey is MUBLEBNXEUUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O/c1-4-6-9-17(5-2)15-28-25(30)23-16(3)24(19-13-12-18(26)14-21(19)27)29-22-11-8-7-10-20(22)23/h7-8,10-14,17H,4-6,9,15H2,1-3H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide has a molecular weight of 443.42 g/mol, XLogP of 7.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 5165996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).