4,5-dimethoxyisoquinoline

C11H11NO2 — CID 119093682

IUPAC4,5-dimethoxyisoquinoline
SMILESCOc1cccc2cncc(OC)c12
InChIInChI=1S/C11H11NO2/c1-13-9-5-3-4-8-6-12-7-10(14-2)11(8)9/h3-7H,1-2H3
InChIKeyXAHXCJOUFVMQRB-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.25
Rot. Bonds2

About 4,5-dimethoxyisoquinoline

4,5-dimethoxyisoquinoline (PubChem CID 119093682) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4,5-dimethoxyisoquinoline.

Molecular Properties

Compound Name4,5-dimethoxyisoquinoline
PubChem CID119093682
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4,5-dimethoxyisoquinoline
SMILESCOc1cccc2cncc(OC)c12
InChIInChI=1S/C11H11NO2/c1-13-9-5-3-4-8-6-12-7-10(14-2)11(8)9/h3-7H,1-2H3
InChIKeyXAHXCJOUFVMQRB-UHFFFAOYSA-N
XLogP2.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methoxyisoquinoline
CID 119083808
5-tert-butyl-4-methoxyisoquinoline
CID 126556212
1-methoxy-8-propylnaphthalene
CID 22401887
1,2,3,8-tetramethoxynaphthalene
CID 91328449
3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
CID 10826459
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
10-methoxy-2H-phenanthridin-1-one
CID 156772397
tert-butyl (3aR,6aS)-5-(4-methoxyisoquinolin-5-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate
CID 118488208
(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite
CID 143317594
4-methoxy-9H-pyrido[3,4-b]indol-8-ol
CID 10798670

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxyisoquinoline?
The IUPAC name of 4,5-dimethoxyisoquinoline (CID 119093682) is 4,5-dimethoxyisoquinoline.
What is the SMILES notation for 4,5-dimethoxyisoquinoline?
The canonical SMILES for 4,5-dimethoxyisoquinoline is COc1cccc2cncc(OC)c12.
What is the InChIKey of 4,5-dimethoxyisoquinoline?
The InChIKey is XAHXCJOUFVMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-13-9-5-3-4-8-6-12-7-10(14-2)11(8)9/h3-7H,1-2H3.
What are the key properties of 4,5-dimethoxyisoquinoline?
4,5-dimethoxyisoquinoline has a molecular weight of 189.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxyisoquinoline is sourced from PubChem (CID 119093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).