N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide

C34H32N2O2 — CID 19648018

IUPACN-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C34H32N2O2/c1-21-11-12-23(3)30(19-21)35-34(37)31-25(5)33(36-32-24(4)17-22(2)18-29(31)32)27-13-15-28(16-14-27)38-20-26-9-7-6-8-10-26/h6-19H,20H2,1-5H3,(H,35,37)
InChIKeyGIAIOCOCLNAHFL-UHFFFAOYSA-N
MW500.64 g/mol
LogP8.28
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide

N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (PubChem CID 19648018) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
PubChem CID19648018
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC NameN-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C34H32N2O2/c1-21-11-12-23(3)30(19-21)35-34(37)31-25(5)33(36-32-24(4)17-22(2)18-29(31)32)27-13-15-28(16-14-27)38-20-26-9-7-6-8-10-26/h6-19H,20H2,1-5H3,(H,35,37)
InChIKeyGIAIOCOCLNAHFL-UHFFFAOYSA-N
XLogP8.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
(2-acetylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 19648458
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (CID 19648018) is N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is Cc1ccc(C)c(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is GIAIOCOCLNAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-21-11-12-23(3)30(19-21)35-34(37)31-25(5)33(36-32-24(4)17-22(2)18-29(31)32)27-13-15-28(16-14-27)38-20-26-9-7-6-8-10-26/h6-19H,20H2,1-5H3,(H,35,37).
What are the key properties of N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 8.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19648018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).