N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

C28H28N2O2 — CID 19648086

IUPACN-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C28H28N2O2/c1-16-11-17(2)14-22(13-16)29-28(31)25-20(5)27(21-7-9-23(32-6)10-8-21)30-26-19(4)12-18(3)15-24(25)26/h7-15H,1-6H3,(H,29,31)
InChIKeyOHGSBBNIKVMNRV-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.70
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19648086) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19648086
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C28H28N2O2/c1-16-11-17(2)14-22(13-16)29-28(31)25-20(5)27(21-7-9-23(32-6)10-8-21)30-26-19(4)12-18(3)15-24(25)26/h7-15H,1-6H3,(H,29,31)
InChIKeyOHGSBBNIKVMNRV-UHFFFAOYSA-N
XLogP6.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
(2,3-dimethylphenyl) 2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648476
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19648086) is N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is COc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is OHGSBBNIKVMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-16-11-17(2)14-22(13-16)29-28(31)25-20(5)27(21-7-9-23(32-6)10-8-21)30-26-19(4)12-18(3)15-24(25)26/h7-15H,1-6H3,(H,29,31).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19648086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).