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

C28H22N2O2 — CID 19648243

IUPACquinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3cccc4cccnc34)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C28H22N2O2/c1-17-9-11-20(12-10-17)24-16-23(22-15-18(2)14-19(3)26(22)30-24)28(31)32-25-8-4-6-21-7-5-13-29-27(21)25/h4-16H,1-3H3
InChIKeyLVVMECKRDHKUHT-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.59
Rot. Bonds3

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

quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 19648243) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID19648243
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Namequinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)Oc3cccc4cccnc34)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C28H22N2O2/c1-17-9-11-20(12-10-17)24-16-23(22-15-18(2)14-19(3)26(22)30-24)28(31)32-25-8-4-6-21-7-5-13-29-27(21)25/h4-16H,1-3H3
InChIKeyLVVMECKRDHKUHT-UHFFFAOYSA-N
XLogP6.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
CID 19648374
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648262
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
(3,4-dimethylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648206
(2-butan-2-ylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648224
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
2-methylpropyl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648264
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (CID 19648243) is quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)Oc3cccc4cccnc34)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is LVVMECKRDHKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-17-9-11-20(12-10-17)24-16-23(22-15-18(2)14-19(3)26(22)30-24)28(31)32-25-8-4-6-21-7-5-13-29-27(21)25/h4-16H,1-3H3.
What are the key properties of quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 19648243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).