N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide

C25H22N2O2 — CID 1257051

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c1-29-24-14-8-5-11-19(24)15-16-26-25(28)21-17-23(18-9-3-2-4-10-18)27-22-13-7-6-12-20(21)22/h2-14,17H,15-16H2,1H3,(H,26,28)
InChIKeyADGCJHWWFRAXLF-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.88
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 1257051) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID1257051
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c1-29-24-14-8-5-11-19(24)15-16-26-25(28)21-17-23(18-9-3-2-4-10-18)27-22-13-7-6-12-20(21)22/h2-14,17H,15-16H2,1H3,(H,26,28)
InChIKeyADGCJHWWFRAXLF-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46655946
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide (CID 1257051) is N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is ADGCJHWWFRAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-29-24-14-8-5-11-19(24)15-16-26-25(28)21-17-23(18-9-3-2-4-10-18)27-22-13-7-6-12-20(21)22/h2-14,17H,15-16H2,1H3,(H,26,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1257051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).