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

C26H24N2O3 — CID 22578050

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C26H24N2O3/c1-18-11-13-19(14-12-18)17-31-25-15-22(21-8-4-5-9-23(21)28-25)26(29)27-16-20-7-3-6-10-24(20)30-2/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyMMRMYCOZXWOSCH-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.06
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (PubChem CID 22578050) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
PubChem CID22578050
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C26H24N2O3/c1-18-11-13-19(14-12-18)17-31-25-15-22(21-8-4-5-9-23(21)28-25)26(29)27-16-20-7-3-6-10-24(20)30-2/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyMMRMYCOZXWOSCH-UHFFFAOYSA-N
XLogP5.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 46323365
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (CID 22578050) is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The InChIKey is MMRMYCOZXWOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-11-13-19(14-12-18)17-31-25-15-22(21-8-4-5-9-23(21)28-25)26(29)27-16-20-7-3-6-10-24(20)30-2/h3-15H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 22578050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).