methyl 2,3-diphenylquinoline-6-carboxylate

C23H17NO2 — CID 154585293

IUPACmethyl 2,3-diphenylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C23H17NO2/c1-26-23(25)18-12-13-21-19(14-18)15-20(16-8-4-2-5-9-16)22(24-21)17-10-6-3-7-11-17/h2-15H,1H3
InChIKeyDVOGOPGKMJMPNL-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.36
Rot. Bonds3

About methyl 2,3-diphenylquinoline-6-carboxylate

methyl 2,3-diphenylquinoline-6-carboxylate (PubChem CID 154585293) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2,3-diphenylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diphenylquinoline-6-carboxylate
PubChem CID154585293
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Namemethyl 2,3-diphenylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C23H17NO2/c1-26-23(25)18-12-13-21-19(14-18)15-20(16-8-4-2-5-9-16)22(24-21)17-10-6-3-7-11-17/h2-15H,1H3
InChIKeyDVOGOPGKMJMPNL-UHFFFAOYSA-N
XLogP5.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
CID 141448044
2,3-diphenylquinolin-6-ol
CID 53381619
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
methyl phenazine-2-carboxylate
CID 617185
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
CID 67041739
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
methyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate
CID 67042109
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-diphenylquinoline-6-carboxylate?
The IUPAC name of methyl 2,3-diphenylquinoline-6-carboxylate (CID 154585293) is methyl 2,3-diphenylquinoline-6-carboxylate.
What is the SMILES notation for methyl 2,3-diphenylquinoline-6-carboxylate?
The canonical SMILES for methyl 2,3-diphenylquinoline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1.
What is the InChIKey of methyl 2,3-diphenylquinoline-6-carboxylate?
The InChIKey is DVOGOPGKMJMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-26-23(25)18-12-13-21-19(14-18)15-20(16-8-4-2-5-9-16)22(24-21)17-10-6-3-7-11-17/h2-15H,1H3.
What are the key properties of methyl 2,3-diphenylquinoline-6-carboxylate?
methyl 2,3-diphenylquinoline-6-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diphenylquinoline-6-carboxylate is sourced from PubChem (CID 154585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).