quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate

C28H22N2O2 — CID 19648374

IUPACquinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)c(C)c(C(=O)Oc3cccc4cccnc34)c2c1
InChIInChI=1S/C28H22N2O2/c1-17-15-18(2)25-22(16-17)24(19(3)26(30-25)20-9-5-4-6-10-20)28(31)32-23-13-7-11-21-12-8-14-29-27(21)23/h4-16H,1-3H3
InChIKeyXDUYAEGCDLTOFS-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.59
Rot. Bonds3

About quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate

quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate (PubChem CID 19648374) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
PubChem CID19648374
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Namequinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)c(C)c(C(=O)Oc3cccc4cccnc34)c2c1
InChIInChI=1S/C28H22N2O2/c1-17-15-18(2)25-22(16-17)24(19(3)26(30-25)20-9-5-4-6-10-20)28(31)32-23-13-7-11-21-12-8-14-29-27(21)23/h4-16H,1-3H3
InChIKeyXDUYAEGCDLTOFS-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'}

Analyze quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116
(2,3-dimethylphenyl) 2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648476
quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648243
(2-acetylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 19648458
2-methylpropyl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
CID 19648393
(4-methoxyphenyl) 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648426
methyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648439
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 17258128
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
quinolin-8-yl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 1194114

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate (CID 19648374) is quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccccc3)c(C)c(C(=O)Oc3cccc4cccnc34)c2c1.
What is the InChIKey of quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate?
The InChIKey is XDUYAEGCDLTOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-17-15-18(2)25-22(16-17)24(19(3)26(30-25)20-9-5-4-6-10-20)28(31)32-23-13-7-11-21-12-8-14-29-27(21)23/h4-16H,1-3H3.
What are the key properties of quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate?
quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-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 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 19648374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).