N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C27H26N2O6 — CID 2386384

IUPACN-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1OC
InChIInChI=1S/C27H26N2O6/c1-31-22-11-10-17(14-23(22)32-2)28-27(30)19-15-21(29-20-9-7-6-8-18(19)20)16-12-24(33-3)26(35-5)25(13-16)34-4/h6-15H,1-5H3,(H,28,30)
InChIKeyOVZUSWLKWNSJOD-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.20
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2386384) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2386384
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1OC
InChIInChI=1S/C27H26N2O6/c1-31-22-11-10-17(14-23(22)32-2)28-27(30)19-15-21(29-20-9-7-6-8-18(19)20)16-12-24(33-3)26(35-5)25(13-16)34-4/h6-15H,1-5H3,(H,28,30)
InChIKeyOVZUSWLKWNSJOD-UHFFFAOYSA-N
XLogP5.20
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Lucitanib
CID 25031915
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 11441375
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
3,4,5-trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)hexyl)-benzamide
CID 16094856
3,4,5-trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)octyl)-benzamide
CID 16094857
3,4,5-trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)heptyl)-benzamide
CID 16094873
Tacrine derivative 15a
CID 11854653
6-Methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1H-indole
CID 10473384
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11156617
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11329617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11466492

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2386384) is N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is OVZUSWLKWNSJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-31-22-11-10-17(14-23(22)32-2)28-27(30)19-15-21(29-20-9-7-6-8-18(19)20)16-12-24(33-3)26(35-5)25(13-16)34-4/h6-15H,1-5H3,(H,28,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).