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

C23H23Cl2N3O4 — CID 118114796

IUPAC2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
SMILESCOc1cc2cncc(Cc3ccc4cccc(OCC(N)=O)c4n3)c2cc1OC.Cl.Cl
InChIInChI=1S/C23H21N3O4.2ClH/c1-28-20-9-16-12-25-11-15(18(16)10-21(20)29-2)8-17-7-6-14-4-3-5-19(23(14)26-17)30-13-22(24)27;;/h3-7,9-12H,8,13H2,1-2H3,(H2,24,27);2*1H
InChIKeyMVSUQMSBPLRIOF-UHFFFAOYSA-N
MW476.36 g/mol
LogP4.10
Rot. Bonds7

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

2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride (PubChem CID 118114796) has the molecular formula C23H23Cl2N3O4 and a molecular weight of 476.36 g/mol. Its IUPAC name is 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
PubChem CID118114796
Molecular FormulaC23H23Cl2N3O4
Molecular Weight476.36 g/mol
Exact Mass475.11
IUPAC Name2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
SMILESCOc1cc2cncc(Cc3ccc4cccc(OCC(N)=O)c4n3)c2cc1OC.Cl.Cl
InChIInChI=1S/C23H21N3O4.2ClH/c1-28-20-9-16-12-25-11-15(18(16)10-21(20)29-2)8-17-7-6-14-4-3-5-19(23(14)26-17)30-13-22(24)27;;/h3-7,9-12H,8,13H2,1-2H3,(H2,24,27);2*1H
InChIKeyMVSUQMSBPLRIOF-UHFFFAOYSA-N
XLogP4.10
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride with MolForge

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Related Compounds

ethyl 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetate
CID 74539328
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide
CID 74538929
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-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
CID 90117802
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
N-[2-[2-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethyl]acetamide
CID 90131174
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
1-ethyl-6,7-dimethoxy-4-[[8-(trifluoromethylsulfanyloxy)quinolin-2-yl]methyl]isoquinoline
CID 144620263
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
2-[3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]oxyacetic acid
CID 90117699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride?
The IUPAC name of 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride (CID 118114796) is 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride.
What is the SMILES notation for 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride?
The canonical SMILES for 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride is COc1cc2cncc(Cc3ccc4cccc(OCC(N)=O)c4n3)c2cc1OC.Cl.Cl.
What is the InChIKey of 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride?
The InChIKey is MVSUQMSBPLRIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4.2ClH/c1-28-20-9-16-12-25-11-15(18(16)10-21(20)29-2)8-17-7-6-14-4-3-5-19(23(14)26-17)30-13-22(24)27;;/h3-7,9-12H,8,13H2,1-2H3,(H2,24,27);2*1H.
What are the key properties of 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride?
2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride has a molecular weight of 476.36 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride is sourced from PubChem (CID 118114796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).