6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane

C27H30N2O5 — CID 159587372

IUPAC6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2ccc(OC)cc2cc1C(=O)c1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C26H26N2O5.CH4/c1-6-7-21-19(11-15-10-16(31-3)8-9-20(15)28-21)25(29)24-18-13-23(33-5)22(32-4)12-17(18)14(2)27-26(24)30;/h8-13H,6-7H2,1-5H3,(H,27,30);1H4
InChIKeyMJUFRWBUZAORKV-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.23
Rot. Bonds7

About 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane

6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane (PubChem CID 159587372) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane.

Molecular Properties

Compound Name6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane
PubChem CID159587372
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane
SMILESC.CCCc1nc2ccc(OC)cc2cc1C(=O)c1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C26H26N2O5.CH4/c1-6-7-21-19(11-15-10-16(31-3)8-9-20(15)28-21)25(29)24-18-13-23(33-5)22(32-4)12-17(18)14(2)27-26(24)30;/h8-13H,6-7H2,1-5H3,(H,27,30);1H4
InChIKeyMJUFRWBUZAORKV-UHFFFAOYSA-N
XLogP5.23
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane with MolForge

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Related Compounds

1-ethyl-6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-2H-isoquinolin-3-one;methane
CID 158657955
6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane
CID 158049391
N-[[6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-3-oxo-2H-isoquinolin-1-yl]methyl]methanesulfonamide
CID 158023916
4-[(6-ethoxy-2-propylquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one;methane
CID 160538765
4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
CID 35787500
2-butanoyl-5-(2,6-dimethoxyquinolin-3-yl)cyclohexane-1,3-dione
CID 86097078
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one
CID 14494536
2-[3-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]-6-methoxyquinolin-2-yl]oxyacetonitrile;dihydrochloride
CID 74539193
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
N'-(6-methoxy-3-methylquinolin-2-yl)butanehydrazide
CID 167857258
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane?
The IUPAC name of 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane (CID 159587372) is 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane.
What is the SMILES notation for 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane?
The canonical SMILES for 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane is C.CCCc1nc2ccc(OC)cc2cc1C(=O)c1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane?
The InChIKey is MJUFRWBUZAORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5.CH4/c1-6-7-21-19(11-15-10-16(31-3)8-9-20(15)28-21)25(29)24-18-13-23(33-5)22(32-4)12-17(18)14(2)27-26(24)30;/h8-13H,6-7H2,1-5H3,(H,27,30);1H4.
What are the key properties of 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane?
6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane has a molecular weight of 462.55 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(6-methoxy-2-propylquinoline-3-carbonyl)-1-methyl-2H-isoquinolin-3-one;methane is sourced from PubChem (CID 159587372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).