6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline

C21H18N2O2 — CID 3721640

IUPAC6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline
SMILESCOc1ccc2ncccc2c1Cc1c(OC)ccc2ncccc12
InChIInChI=1S/C21H18N2O2/c1-24-20-9-7-18-14(5-3-11-22-18)16(20)13-17-15-6-4-12-23-19(15)8-10-21(17)25-2/h3-12H,13H2,1-2H3
InChIKeyNHYLTEGTGGEJOI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

About 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline

6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline (PubChem CID 3721640) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline.

Molecular Properties

Compound Name6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline
PubChem CID3721640
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline
SMILESCOc1ccc2ncccc2c1Cc1c(OC)ccc2ncccc12
InChIInChI=1S/C21H18N2O2/c1-24-20-9-7-18-14(5-3-11-22-18)16(20)13-17-15-6-4-12-23-19(15)8-10-21(17)25-2/h3-12H,13H2,1-2H3
InChIKeyNHYLTEGTGGEJOI-UHFFFAOYSA-N
XLogP4.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline?
The IUPAC name of 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline (CID 3721640) is 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline.
What is the SMILES notation for 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline?
The canonical SMILES for 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline is COc1ccc2ncccc2c1Cc1c(OC)ccc2ncccc12.
What is the InChIKey of 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline?
The InChIKey is NHYLTEGTGGEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-20-9-7-18-14(5-3-11-22-18)16(20)13-17-15-6-4-12-23-19(15)8-10-21(17)25-2/h3-12H,13H2,1-2H3.
What are the key properties of 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline?
6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[(6-methoxyquinolin-5-yl)methyl]quinoline is sourced from PubChem (CID 3721640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).