4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane

C24H26N2O3 — CID 158617122

IUPAC4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane
SMILESC.CCOc1cccc2ccc(Cc3cncc4cc(OC)c(OC)cc34)nc12
InChIInChI=1S/C23H22N2O3.CH4/c1-4-28-20-7-5-6-15-8-9-18(25-23(15)20)10-16-13-24-14-17-11-21(26-2)22(27-3)12-19(16)17;/h5-9,11-14H,4,10H2,1-3H3;1H4
InChIKeyHXNJQFWGOSFHNJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.43
Rot. Bonds6

About 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane

4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane (PubChem CID 158617122) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane.

Molecular Properties

Compound Name4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane
PubChem CID158617122
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane
SMILESC.CCOc1cccc2ccc(Cc3cncc4cc(OC)c(OC)cc34)nc12
InChIInChI=1S/C23H22N2O3.CH4/c1-4-28-20-7-5-6-15-8-9-18(25-23(15)20)10-16-13-24-14-17-11-21(26-2)22(27-3)12-19(16)17;/h5-9,11-14H,4,10H2,1-3H3;1H4
InChIKeyHXNJQFWGOSFHNJ-UHFFFAOYSA-N
XLogP5.43
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetate
CID 74539328
2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
CID 118114796
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
CID 90117802
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide
CID 74538929
1-ethyl-6,7-dimethoxy-4-[[8-(trifluoromethylsulfanyloxy)quinolin-2-yl]methyl]isoquinoline
CID 144620263
2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
CID 90117756
[2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-yl] sulfamate
CID 118543746
2-[2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-yl]oxyacetaldehyde;methanamine
CID 144620309
N-[2-[2-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethyl]acetamide
CID 90131174
4-[(2-chloroquinolin-3-yl)methyl]-6,7-dimethoxyisoquinoline;methane
CID 161458403
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106

Frequently Asked Questions

What is the IUPAC name of 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane?
The IUPAC name of 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane (CID 158617122) is 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane.
What is the SMILES notation for 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane?
The canonical SMILES for 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane is C.CCOc1cccc2ccc(Cc3cncc4cc(OC)c(OC)cc34)nc12.
What is the InChIKey of 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane?
The InChIKey is HXNJQFWGOSFHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3.CH4/c1-4-28-20-7-5-6-15-8-9-18(25-23(15)20)10-16-13-24-14-17-11-21(26-2)22(27-3)12-19(16)17;/h5-9,11-14H,4,10H2,1-3H3;1H4.
What are the key properties of 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane?
4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane has a molecular weight of 390.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane is sourced from PubChem (CID 158617122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).