methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate

C25H23NO3 — CID 102196240

IUPACmethyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1=CC(c2cccc(OC)c2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-28-20-12-8-11-19(15-20)24-16-22(25(27)29-2)21-13-6-7-14-23(21)26(24)17-18-9-4-3-5-10-18/h3-16,24H,17H2,1-2H3
InChIKeyODVIUGHFVAVEDD-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.01
Rot. Bonds5

About methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate

methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate (PubChem CID 102196240) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
PubChem CID102196240
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Namemethyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1=CC(c2cccc(OC)c2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-28-20-12-8-11-19(15-20)24-16-22(25(27)29-2)21-13-6-7-14-23(21)26(24)17-18-9-4-3-5-10-18/h3-16,24H,17H2,1-2H3
InChIKeyODVIUGHFVAVEDD-UHFFFAOYSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzyl-2-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126183550
1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid
CID 70170471
(3S,4R)-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57356373
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 3378055
methyl 4-[[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]methyl]benzoate
CID 108698920
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181888
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate (CID 102196240) is methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate is COC(=O)C1=CC(c2cccc(OC)c2)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate?
The InChIKey is ODVIUGHFVAVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-28-20-12-8-11-19(15-20)24-16-22(25(27)29-2)21-13-6-7-14-23(21)26(24)17-18-9-4-3-5-10-18/h3-16,24H,17H2,1-2H3.
What are the key properties of methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate?
methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate is sourced from PubChem (CID 102196240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).