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

C40H28N2O2 — CID 102419790

IUPAC3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
SMILESCOc1c(-c2cnc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2cnc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C40H28N2O2/c1-43-39-33(29-19-27-13-5-9-17-35(27)41-23-29)21-25-11-3-7-15-31(25)37(39)38-32-16-8-4-12-26(32)22-34(40(38)44-2)30-20-28-14-6-10-18-36(28)42-24-30/h3-24H,1-2H3
InChIKeyFGMMHUBVRMKLBP-UHFFFAOYSA-N
MW568.68 g/mol
LogP10.11
Rot. Bonds5

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

3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline (PubChem CID 102419790) has the molecular formula C40H28N2O2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
PubChem CID102419790
Molecular FormulaC40H28N2O2
Molecular Weight568.68 g/mol
Exact Mass568.22
IUPAC Name3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
SMILESCOc1c(-c2cnc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2cnc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C40H28N2O2/c1-43-39-33(29-19-27-13-5-9-17-35(27)41-23-29)21-25-11-3-7-15-31(25)37(39)38-32-16-8-4-12-26(32)22-34(40(38)44-2)30-20-28-14-6-10-18-36(28)42-24-30/h3-24H,1-2H3
InChIKeyFGMMHUBVRMKLBP-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

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Related Compounds

3-anthracen-9-ylquinoline
CID 170654314
2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
CID 110447723
3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
CID 12012242
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 154996191
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
2-quinolin-3-ylaniline
CID 4134401
3-[4-[10-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]anthracen-9-yl]phenyl]quinoline
CID 167410609

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The IUPAC name of 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline (CID 102419790) is 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline.
What is the SMILES notation for 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The canonical SMILES for 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline is COc1c(-c2cnc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2cnc3ccccc3c2)cc2ccccc12.
What is the InChIKey of 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
The InChIKey is FGMMHUBVRMKLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O2/c1-43-39-33(29-19-27-13-5-9-17-35(27)41-23-29)21-25-11-3-7-15-31(25)37(39)38-32-16-8-4-12-26(32)22-34(40(38)44-2)30-20-28-14-6-10-18-36(28)42-24-30/h3-24H,1-2H3.
What are the key properties of 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline?
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-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 3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline is sourced from PubChem (CID 102419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).