2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide

C29H30N2O5 — CID 26826456

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1OC
InChIInChI=1S/C29H30N2O5/c1-31(15-14-19-10-12-25(33-2)27(16-19)35-4)29(32)22-18-24(30-23-9-7-6-8-21(22)23)20-11-13-26(34-3)28(17-20)36-5/h6-13,16-18H,14-15H2,1-5H3
InChIKeyOMCUWAFXDLJUAF-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.25
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide (PubChem CID 26826456) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
PubChem CID26826456
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1OC
InChIInChI=1S/C29H30N2O5/c1-31(15-14-19-10-12-25(33-2)27(16-19)35-4)29(32)22-18-24(30-23-9-7-6-8-21(22)23)20-11-13-26(34-3)28(17-20)36-5/h6-13,16-18H,14-15H2,1-5H3
InChIKeyOMCUWAFXDLJUAF-UHFFFAOYSA-N
XLogP5.25
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 18267213
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 112795169
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide (CID 26826456) is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide is COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is OMCUWAFXDLJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-31(15-14-19-10-12-25(33-2)27(16-19)35-4)29(32)22-18-24(30-23-9-7-6-8-21(22)23)20-11-13-26(34-3)28(17-20)36-5/h6-13,16-18H,14-15H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 26826456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).