2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

C27H26N2O5 — CID 22578012

IUPAC2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5/c1-31-23-13-19(14-24(32-2)26(23)33-3)16-28-27(30)21-15-25(29-22-12-8-7-11-20(21)22)34-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyKRDAOUIQFCRABX-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.77
Rot. Bonds9

About 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 22578012) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID22578012
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5/c1-31-23-13-19(14-24(32-2)26(23)33-3)16-28-27(30)21-15-25(29-22-12-8-7-11-20(21)22)34-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyKRDAOUIQFCRABX-UHFFFAOYSA-N
XLogP4.77
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (CID 22578012) is 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is COc1cc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is KRDAOUIQFCRABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-31-23-13-19(14-24(32-2)26(23)33-3)16-28-27(30)21-15-25(29-22-12-8-7-11-20(21)22)34-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30).
What are the key properties of 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 22578012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).