N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C29H29N3O5 — CID 55782729

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C29H29N3O5/c1-6-30-28(33)18-12-11-17(2)23(13-18)32-29(34)21-16-24(31-22-10-8-7-9-20(21)22)19-14-25(35-3)27(37-5)26(15-19)36-4/h7-16H,6H2,1-5H3,(H,30,33)(H,32,34)
InChIKeyNWFSQUKRNJQMKB-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.24
Rot. Bonds8

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 55782729) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID55782729
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C29H29N3O5/c1-6-30-28(33)18-12-11-17(2)23(13-18)32-29(34)21-16-24(31-22-10-8-7-9-20(21)22)19-14-25(35-3)27(37-5)26(15-19)36-4/h7-16H,6H2,1-5H3,(H,30,33)(H,32,34)
InChIKeyNWFSQUKRNJQMKB-UHFFFAOYSA-N
XLogP5.24
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46461794
4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 5081114
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 55782729) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is NWFSQUKRNJQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-6-30-28(33)18-12-11-17(2)23(13-18)32-29(34)21-16-24(31-22-10-8-7-9-20(21)22)19-14-25(35-3)27(37-5)26(15-19)36-4/h7-16H,6H2,1-5H3,(H,30,33)(H,32,34).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55782729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).