2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol

C25H26N2O4 — CID 90117802

IUPAC2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
SMILESCCc1ncc(Cc2ccc3cccc(OCCO)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H26N2O4/c1-4-21-20-14-24(30-3)23(29-2)13-19(20)17(15-26-21)12-18-9-8-16-6-5-7-22(25(16)27-18)31-11-10-28/h5-9,13-15,28H,4,10-12H2,1-3H3
InChIKeyKSRXFRVMXPFVNM-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.32
Rot. Bonds8

About 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol

2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol (PubChem CID 90117802) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
PubChem CID90117802
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
SMILESCCc1ncc(Cc2ccc3cccc(OCCO)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H26N2O4/c1-4-21-20-14-24(30-3)23(29-2)13-19(20)17(15-26-21)12-18-9-8-16-6-5-7-22(25(16)27-18)31-11-10-28/h5-9,13-15,28H,4,10-12H2,1-3H3
InChIKeyKSRXFRVMXPFVNM-UHFFFAOYSA-N
XLogP4.32
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[2-[2-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethyl]acetamide
CID 90131174
2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
CID 90117756
4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane
CID 158617122
2-[2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-yl]oxyacetaldehyde;methanamine
CID 144620309
ethyl 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetate
CID 74539328
[2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-yl] sulfamate
CID 118543746
2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
CID 118114796
1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166073
4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
CID 150297354

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol?
The IUPAC name of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol (CID 90117802) is 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol.
What is the SMILES notation for 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol?
The canonical SMILES for 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol is CCc1ncc(Cc2ccc3cccc(OCCO)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol?
The InChIKey is KSRXFRVMXPFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-4-21-20-14-24(30-3)23(29-2)13-19(20)17(15-26-21)12-18-9-8-16-6-5-7-22(25(16)27-18)31-11-10-28/h5-9,13-15,28H,4,10-12H2,1-3H3.
What are the key properties of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol?
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol has a molecular weight of 418.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol is sourced from PubChem (CID 90117802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).