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

C28H28N2O3 — CID 18267213

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)cc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H28N2O3/c1-18-10-11-21(19(2)14-18)17-30(3)28(31)23-16-25(29-24-9-7-6-8-22(23)24)20-12-13-26(32-4)27(15-20)33-5/h6-16H,17H2,1-5H3
InChIKeyQQASEGIYHOVRLC-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.81
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 18267213) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID18267213
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)cc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H28N2O3/c1-18-10-11-21(19(2)14-18)17-30(3)28(31)23-16-25(29-24-9-7-6-8-22(23)24)20-12-13-26(32-4)27(15-20)33-5/h6-16H,17H2,1-5H3
InChIKeyQQASEGIYHOVRLC-UHFFFAOYSA-N
XLogP5.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530941
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
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
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
CID 29169171
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 18267213) is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)cc3C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is QQASEGIYHOVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-18-10-11-21(19(2)14-18)17-30(3)28(31)23-16-25(29-24-9-7-6-8-22(23)24)20-12-13-26(32-4)27(15-20)33-5/h6-16H,17H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 18267213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).