6,8-dimethoxyisoquinoline-4-carbonitrile

C12H10N2O2 — CID 57440605

IUPAC6,8-dimethoxyisoquinoline-4-carbonitrile
SMILESCOc1cc(OC)c2cncc(C#N)c2c1
InChIInChI=1S/C12H10N2O2/c1-15-9-3-10-8(5-13)6-14-7-11(10)12(4-9)16-2/h3-4,6-7H,1-2H3
InChIKeyFDSCAXLCZNRMBN-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.12
Rot. Bonds2

About 6,8-dimethoxyisoquinoline-4-carbonitrile

6,8-dimethoxyisoquinoline-4-carbonitrile (PubChem CID 57440605) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6,8-dimethoxyisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name6,8-dimethoxyisoquinoline-4-carbonitrile
PubChem CID57440605
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6,8-dimethoxyisoquinoline-4-carbonitrile
SMILESCOc1cc(OC)c2cncc(C#N)c2c1
InChIInChI=1S/C12H10N2O2/c1-15-9-3-10-8(5-13)6-14-7-11(10)12(4-9)16-2/h3-4,6-7H,1-2H3
InChIKeyFDSCAXLCZNRMBN-UHFFFAOYSA-N
XLogP2.12
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-6-methoxyisoquinoline-7-carbonitrile
CID 118414156
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105815
2,3,4,5-tetramethoxybenzonitrile
CID 71368082
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
5-methoxy-4-nitropyridine-3-carbonitrile
CID 130938715
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
1,2,3,6,7-pentamethoxyphenanthrene-9-carbonitrile
CID 11100286
6-methoxy-1H-indazole-4-carbonitrile
CID 130063102
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxyisoquinoline-4-carbonitrile?
The IUPAC name of 6,8-dimethoxyisoquinoline-4-carbonitrile (CID 57440605) is 6,8-dimethoxyisoquinoline-4-carbonitrile.
What is the SMILES notation for 6,8-dimethoxyisoquinoline-4-carbonitrile?
The canonical SMILES for 6,8-dimethoxyisoquinoline-4-carbonitrile is COc1cc(OC)c2cncc(C#N)c2c1.
What is the InChIKey of 6,8-dimethoxyisoquinoline-4-carbonitrile?
The InChIKey is FDSCAXLCZNRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-15-9-3-10-8(5-13)6-14-7-11(10)12(4-9)16-2/h3-4,6-7H,1-2H3.
What are the key properties of 6,8-dimethoxyisoquinoline-4-carbonitrile?
6,8-dimethoxyisoquinoline-4-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxyisoquinoline-4-carbonitrile is sourced from PubChem (CID 57440605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).