6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane

C29H34N2O5 — CID 161190871

IUPAC6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2cc3c(cc2cc1Cc1c(=O)[nH]c(CCC)c2cc(OC)c(OC)cc12)OCO3
InChIInChI=1S/C28H30N2O5.CH4/c1-5-7-21-16(9-17-11-26-27(35-15-34-26)14-23(17)29-21)10-20-18-12-24(32-3)25(33-4)13-19(18)22(8-6-2)30-28(20)31;/h9,11-14H,5-8,10,15H2,1-4H3,(H,30,31);1H4
InChIKeyUTRYIJZZMNTEBS-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.95
Rot. Bonds8

About 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane

6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane (PubChem CID 161190871) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane.

Molecular Properties

Compound Name6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane
PubChem CID161190871
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2cc3c(cc2cc1Cc1c(=O)[nH]c(CCC)c2cc(OC)c(OC)cc12)OCO3
InChIInChI=1S/C28H30N2O5.CH4/c1-5-7-21-16(9-17-11-26-27(35-15-34-26)14-23(17)29-21)10-20-18-12-24(32-3)25(33-4)13-19(18)22(8-6-2)30-28(20)31;/h9,11-14H,5-8,10,15H2,1-4H3,(H,30,31);1H4
InChIKeyUTRYIJZZMNTEBS-UHFFFAOYSA-N
XLogP5.95
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane 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 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane?
The IUPAC name of 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane (CID 161190871) is 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane.
What is the SMILES notation for 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane?
The canonical SMILES for 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane is C.CCCc1nc2cc3c(cc2cc1Cc1c(=O)[nH]c(CCC)c2cc(OC)c(OC)cc12)OCO3.
What is the InChIKey of 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane?
The InChIKey is UTRYIJZZMNTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5.CH4/c1-5-7-21-16(9-17-11-26-27(35-15-34-26)14-23(17)29-21)10-20-18-12-24(32-3)25(33-4)13-19(18)22(8-6-2)30-28(20)31;/h9,11-14H,5-8,10,15H2,1-4H3,(H,30,31);1H4.
What are the key properties of 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane?
6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane has a molecular weight of 490.60 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-propyl-4-[(6-propyl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2H-isoquinolin-3-one;methane is sourced from PubChem (CID 161190871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).