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

C34H32N2O3 — CID 19648017

IUPACN-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C34H32N2O3/c1-5-38-28-17-13-27(14-18-28)35-34(37)31-24(4)33(36-32-23(3)19-22(2)20-30(31)32)26-11-15-29(16-12-26)39-21-25-9-7-6-8-10-25/h6-20H,5,21H2,1-4H3,(H,35,37)
InChIKeyBKZMMVYTBITUDW-UHFFFAOYSA-N
MW516.64 g/mol
LogP8.06
Rot. Bonds8

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

N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (PubChem CID 19648017) has the molecular formula C34H32N2O3 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
PubChem CID19648017
Molecular FormulaC34H32N2O3
Molecular Weight516.64 g/mol
Exact Mass516.24
IUPAC NameN-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C34H32N2O3/c1-5-38-28-17-13-27(14-18-28)35-34(37)31-24(4)33(36-32-23(3)19-22(2)20-30(31)32)26-11-15-29(16-12-26)39-21-25-9-7-6-8-10-25/h6-20H,5,21H2,1-4H3,(H,35,37)
InChIKeyBKZMMVYTBITUDW-UHFFFAOYSA-N
XLogP8.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
(2-acetylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 19648458
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (CID 19648017) is N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is BKZMMVYTBITUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3/c1-5-38-28-17-13-27(14-18-28)35-34(37)31-24(4)33(36-32-23(3)19-22(2)20-30(31)32)26-11-15-29(16-12-26)39-21-25-9-7-6-8-10-25/h6-20H,5,21H2,1-4H3,(H,35,37).
What are the key properties of N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 8.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19648017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).