6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane

C29H36N2O4 — CID 158049391

IUPAC6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C28H32N2O4.CH4/c1-7-8-23-18(11-17-12-19(32-4)9-10-24(17)29-23)13-22-20-14-25(33-5)26(34-6)15-21(20)27(16(2)3)30-28(22)31;/h9-12,14-16H,7-8,13H2,1-6H3,(H,30,31);1H4
InChIKeyFJHIHILPGOPFED-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.40
Rot. Bonds8

About 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane

6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane (PubChem CID 158049391) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane
PubChem CID158049391
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C28H32N2O4.CH4/c1-7-8-23-18(11-17-12-19(32-4)9-10-24(17)29-23)13-22-20-14-25(33-5)26(34-6)15-21(20)27(16(2)3)30-28(22)31;/h9-12,14-16H,7-8,13H2,1-6H3,(H,30,31);1H4
InChIKeyFJHIHILPGOPFED-UHFFFAOYSA-N
XLogP6.40
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-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-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane?
The IUPAC name of 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane (CID 158049391) is 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane.
What is the SMILES notation for 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane?
The canonical SMILES for 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane is C.CCCc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane?
The InChIKey is FJHIHILPGOPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4.CH4/c1-7-8-23-18(11-17-12-19(32-4)9-10-24(17)29-23)13-22-20-14-25(33-5)26(34-6)15-21(20)27(16(2)3)30-28(22)31;/h9-12,14-16H,7-8,13H2,1-6H3,(H,30,31);1H4.
What are the key properties of 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane?
6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane has a molecular weight of 476.62 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane is sourced from PubChem (CID 158049391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).