2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline

C40H28N2O2 — CID 134938910

IUPAC2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
SMILESCOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C40H28N2O2/c1-43-39-31(35-21-19-25-11-5-9-17-33(25)41-35)23-27-13-3-7-15-29(27)37(39)38-30-16-8-4-14-28(30)24-32(40(38)44-2)36-22-20-26-12-6-10-18-34(26)42-36/h3-24H,1-2H3
InChIKeyFBVZAGYDACASIN-UHFFFAOYSA-N
MW568.68 g/mol
LogP10.11
Rot. Bonds5

About 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline

2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline (PubChem CID 134938910) has the molecular formula C40H28N2O2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
PubChem CID134938910
Molecular FormulaC40H28N2O2
Molecular Weight568.68 g/mol
Exact Mass568.22
IUPAC Name2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
SMILESCOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C40H28N2O2/c1-43-39-31(35-21-19-25-11-5-9-17-33(25)41-35)23-27-13-3-7-15-29(27)37(39)38-30-16-8-4-14-28(30)24-32(40(38)44-2)36-22-20-26-12-6-10-18-34(26)42-36/h3-24H,1-2H3
InChIKeyFBVZAGYDACASIN-UHFFFAOYSA-N
XLogP10.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The IUPAC name of 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline (CID 134938910) is 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline.
What is the SMILES notation for 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The canonical SMILES for 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline is COc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3n2)cc2ccccc12.
What is the InChIKey of 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The InChIKey is FBVZAGYDACASIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O2/c1-43-39-31(35-21-19-25-11-5-9-17-33(25)41-35)23-27-13-3-7-15-29(27)37(39)38-30-16-8-4-14-28(30)24-32(40(38)44-2)36-22-20-26-12-6-10-18-34(26)42-36/h3-24H,1-2H3.
What are the key properties of 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline has a molecular weight of 568.68 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methoxy-3-quinolin-2-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline is sourced from PubChem (CID 134938910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).