(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate

C25H19NO4 — CID 7866939

IUPAC(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H19NO4/c1-29-24(27)19-13-11-17(12-14-19)16-30-25(28)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,16H2,1H3
InChIKeyINTQOLYXPZFAJF-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.05
Rot. Bonds5

About (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate

(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate (PubChem CID 7866939) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
PubChem CID7866939
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H19NO4/c1-29-24(27)19-13-11-17(12-14-19)16-30-25(28)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,16H2,1H3
InChIKeyINTQOLYXPZFAJF-UHFFFAOYSA-N
XLogP5.05
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2369162
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate (CID 7866939) is (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The InChIKey is INTQOLYXPZFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-24(27)19-13-11-17(12-14-19)16-30-25(28)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,16H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate?
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7866939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).