(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

C31H23NO4 — CID 3995735

IUPAC(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C31H23NO4/c1-35-30(33)25-13-11-21(12-14-25)20-36-31(34)27-19-29(32-28-10-6-5-9-26(27)28)24-17-15-23(16-18-24)22-7-3-2-4-8-22/h2-19H,20H2,1H3
InChIKeyMBYWZMATQBXJOM-UHFFFAOYSA-N
MW473.53 g/mol
LogP6.71
Rot. Bonds6

About (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 3995735) has the molecular formula C31H23NO4 and a molecular weight of 473.53 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID3995735
Molecular FormulaC31H23NO4
Molecular Weight473.53 g/mol
Exact Mass473.16
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C31H23NO4/c1-35-30(33)25-13-11-21(12-14-25)20-36-31(34)27-19-29(32-28-10-6-5-9-26(27)28)24-17-15-23(16-18-24)22-7-3-2-4-8-22/h2-19H,20H2,1H3
InChIKeyMBYWZMATQBXJOM-UHFFFAOYSA-N
XLogP6.71
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2369162
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (CID 3995735) is (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is MBYWZMATQBXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO4/c1-35-30(33)25-13-11-21(12-14-25)20-36-31(34)27-19-29(32-28-10-6-5-9-26(27)28)24-17-15-23(16-18-24)22-7-3-2-4-8-22/h2-19H,20H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3995735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).