(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

C27H25NO2 — CID 19648258

IUPAC(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H25NO2/c1-16-6-9-21(10-7-16)25-15-24(23-13-17(2)12-20(5)26(23)28-25)27(29)30-22-11-8-18(3)19(4)14-22/h6-15H,1-5H3
InChIKeyGDIKUSMHDYGJAW-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.66
Rot. Bonds3

About (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 19648258) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID19648258
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H25NO2/c1-16-6-9-21(10-7-16)25-15-24(23-13-17(2)12-20(5)26(23)28-25)27(29)30-22-11-8-18(3)19(4)14-22/h6-15H,1-5H3
InChIKeyGDIKUSMHDYGJAW-UHFFFAOYSA-N
XLogP6.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.66
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

(3,4-dimethylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648206
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192
propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648262
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
2-methylpropyl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648264

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (CID 19648258) is (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is GDIKUSMHDYGJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-16-6-9-21(10-7-16)25-15-24(23-13-17(2)12-20(5)26(23)28-25)27(29)30-22-11-8-18(3)19(4)14-22/h6-15H,1-5H3.
What are the key properties of (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 19648258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).