N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

C27H26N2O3 — CID 22578064

IUPACN-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C27H26N2O3/c1-3-31-25-11-7-4-8-21(25)17-28-27(30)23-16-26(29-24-10-6-5-9-22(23)24)32-18-20-14-12-19(2)13-15-20/h4-16H,3,17-18H2,1-2H3,(H,28,30)
InChIKeyOMJUCDGDMPHPRR-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.45
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (PubChem CID 22578064) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
PubChem CID22578064
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C27H26N2O3/c1-3-31-25-11-7-4-8-21(25)17-28-27(30)23-16-26(29-24-10-6-5-9-22(23)24)32-18-20-14-12-19(2)13-15-20/h4-16H,3,17-18H2,1-2H3,(H,28,30)
InChIKeyOMJUCDGDMPHPRR-UHFFFAOYSA-N
XLogP5.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46090954
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (CID 22578064) is N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is CCOc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The InChIKey is OMJUCDGDMPHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-3-31-25-11-7-4-8-21(25)17-28-27(30)23-16-26(29-24-10-6-5-9-22(23)24)32-18-20-14-12-19(2)13-15-20/h4-16H,3,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 22578064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).