6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline

C25H26N2O2 — CID 74539054

IUPAC6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline
SMILESCCCc1ncc(Cc2cnc3cc(C)ccc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H26N2O2/c1-5-6-22-21-13-25(29-4)24(28-3)12-20(21)19(15-27-22)11-17-10-18-8-7-16(2)9-23(18)26-14-17/h7-10,12-15H,5-6,11H2,1-4H3
InChIKeyXQGUOKXIJQYJPR-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.65
Rot. Bonds6

About 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline

6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline (PubChem CID 74539054) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline
PubChem CID74539054
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline
SMILESCCCc1ncc(Cc2cnc3cc(C)ccc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H26N2O2/c1-5-6-22-21-13-25(29-4)24(28-3)12-20(21)19(15-27-22)11-17-10-18-8-7-16(2)9-23(18)26-14-17/h7-10,12-15H,5-6,11H2,1-4H3
InChIKeyXQGUOKXIJQYJPR-UHFFFAOYSA-N
XLogP5.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline?
The IUPAC name of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline (CID 74539054) is 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline is CCCc1ncc(Cc2cnc3cc(C)ccc3c2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline?
The InChIKey is XQGUOKXIJQYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-5-6-22-21-13-25(29-4)24(28-3)12-20(21)19(15-27-22)11-17-10-18-8-7-16(2)9-23(18)26-14-17/h7-10,12-15H,5-6,11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline?
6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline has a molecular weight of 386.50 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline is sourced from PubChem (CID 74539054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).