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

C42H32N2O4 — CID 135019950

IUPAC2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline
SMILESCOCOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OCOC)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C42H32N2O4/c1-45-25-47-41-33(37-21-19-27-11-5-9-17-35(27)43-37)23-29-13-3-7-15-31(29)39(41)40-32-16-8-4-14-30(32)24-34(42(40)48-26-46-2)38-22-20-28-12-6-10-18-36(28)44-38/h3-24H,25-26H2,1-2H3
InChIKeyDMLJAAREPZRTQE-UHFFFAOYSA-N
MW628.73 g/mol
LogP10.06
Rot. Bonds9

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

2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline (PubChem CID 135019950) has the molecular formula C42H32N2O4 and a molecular weight of 628.73 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline
PubChem CID135019950
Molecular FormulaC42H32N2O4
Molecular Weight628.73 g/mol
Exact Mass628.24
IUPAC Name2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline
SMILESCOCOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OCOC)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C42H32N2O4/c1-45-25-47-41-33(37-21-19-27-11-5-9-17-35(27)43-37)23-29-13-3-7-15-31(29)39(41)40-32-16-8-4-14-30(32)24-34(42(40)48-26-46-2)38-22-20-28-12-6-10-18-36(28)44-38/h3-24H,25-26H2,1-2H3
InChIKeyDMLJAAREPZRTQE-UHFFFAOYSA-N
XLogP10.06
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline?
The IUPAC name of 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline (CID 135019950) is 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline.
What is the SMILES notation for 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline?
The canonical SMILES for 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline is COCOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(OCOC)c(-c2ccc3ccccc3n2)cc2ccccc12.
What is the InChIKey of 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline?
The InChIKey is DMLJAAREPZRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O4/c1-45-25-47-41-33(37-21-19-27-11-5-9-17-35(27)43-37)23-29-13-3-7-15-31(29)39(41)40-32-16-8-4-14-30(32)24-34(42(40)48-26-46-2)38-22-20-28-12-6-10-18-36(28)44-38/h3-24H,25-26H2,1-2H3.
What are the key properties of 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline?
2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline has a molecular weight of 628.73 g/mol, XLogP of 10.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-quinolin-2-ylnaphthalen-1-yl]naphthalen-2-yl]quinoline is sourced from PubChem (CID 135019950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).