(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

C31H25NO2 — CID 19648246

IUPAC(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C31H25NO2/c1-20-9-11-25(12-10-20)29-19-28(27-18-21(2)17-22(3)30(27)32-29)31(33)34-26-15-13-24(14-16-26)23-7-5-4-6-8-23/h4-19H,1-3H3
InChIKeyKPNJUNKNSZCDNR-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.71
Rot. Bonds4

About (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 19648246) has the molecular formula C31H25NO2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID19648246
Molecular FormulaC31H25NO2
Molecular Weight443.55 g/mol
Exact Mass443.19
IUPAC Name(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C31H25NO2/c1-20-9-11-25(12-10-20)29-19-28(27-18-21(2)17-22(3)30(27)32-29)31(33)34-26-15-13-24(14-16-26)23-7-5-4-6-8-23/h4-19H,1-3H3
InChIKeyKPNJUNKNSZCDNR-UHFFFAOYSA-N
XLogP7.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
(3,4-dimethylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648206
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (CID 19648246) is (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is KPNJUNKNSZCDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO2/c1-20-9-11-25(12-10-20)29-19-28(27-18-21(2)17-22(3)30(27)32-29)31(33)34-26-15-13-24(14-16-26)23-7-5-4-6-8-23/h4-19H,1-3H3.
What are the key properties of (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 443.55 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 19648246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).