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

C25H25N3O4 — CID 74538929

IUPAC2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide
SMILESCCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H25N3O4/c1-4-20-19-12-23(31-3)22(30-2)11-18(19)16(13-27-20)10-17-9-8-15-6-5-7-21(25(15)28-17)32-14-24(26)29/h5-9,11-13H,4,10,14H2,1-3H3,(H2,26,29)
InChIKeyWHDKHHMJOJVHKO-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.82
Rot. Bonds8

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

2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide (PubChem CID 74538929) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound Name2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide
PubChem CID74538929
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide
SMILESCCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H25N3O4/c1-4-20-19-12-23(31-3)22(30-2)11-18(19)16(13-27-20)10-17-9-8-15-6-5-7-21(25(15)28-17)32-14-24(26)29/h5-9,11-13H,4,10,14H2,1-3H3,(H2,26,29)
InChIKeyWHDKHHMJOJVHKO-UHFFFAOYSA-N
XLogP3.82
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-ethyl-6,7-dimethoxy-4-[[8-(trifluoromethylsulfanyloxy)quinolin-2-yl]methyl]isoquinoline
CID 144620263
ethyl 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetate
CID 74539328
N-[2-[2-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethyl]acetamide
CID 90131174
2-[2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-yl]oxyacetaldehyde;methanamine
CID 144620309
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-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-yl] sulfamate
CID 118543746
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide?
The IUPAC name of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide (CID 74538929) is 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide.
What is the SMILES notation for 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide?
The canonical SMILES for 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide is CCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide?
The InChIKey is WHDKHHMJOJVHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-20-19-12-23(31-3)22(30-2)11-18(19)16(13-27-20)10-17-9-8-15-6-5-7-21(25(15)28-17)32-14-24(26)29/h5-9,11-13H,4,10,14H2,1-3H3,(H2,26,29).
What are the key properties of 2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide?
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide has a molecular weight of 431.49 g/mol, XLogP of 3.82, 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]oxyacetamide is sourced from PubChem (CID 74538929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).