6-methoxyisoquinoline-5-carboxamide

C11H10N2O2 — CID 82573912

IUPAC6-methoxyisoquinoline-5-carboxamide
SMILESCOc1ccc2cnccc2c1C(N)=O
InChIInChI=1S/C11H10N2O2/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)11(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyIXYWJQSXDQQFEB-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.34
Rot. Bonds2

About 6-methoxyisoquinoline-5-carboxamide

6-methoxyisoquinoline-5-carboxamide (PubChem CID 82573912) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-methoxyisoquinoline-5-carboxamide.

Molecular Properties

Compound Name6-methoxyisoquinoline-5-carboxamide
PubChem CID82573912
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6-methoxyisoquinoline-5-carboxamide
SMILESCOc1ccc2cnccc2c1C(N)=O
InChIInChI=1S/C11H10N2O2/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)11(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyIXYWJQSXDQQFEB-UHFFFAOYSA-N
XLogP1.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-pyridinyl) carbamate
CID 90285344
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
(3-amino-4-pyridinyl)-(2-methoxynaphthalen-1-yl)methanone
CID 53414360
formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
2,4-dimethoxypyridine-3-carboxamide
CID 22356790
3-(6,7-dimethoxyisoquinolin-5-yl)propanamide
CID 82578303
6-methylisoquinoline-5-carbonyl chloride
CID 125452017
1-(6-bromoisoquinolin-5-yl)ethanone
CID 115046649
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 114970995
3,8-phenanthroline
CID 13064691
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
6-chloroisoquinoline-5-carboxylic acid
CID 82574726

Frequently Asked Questions

What is the IUPAC name of 6-methoxyisoquinoline-5-carboxamide?
The IUPAC name of 6-methoxyisoquinoline-5-carboxamide (CID 82573912) is 6-methoxyisoquinoline-5-carboxamide.
What is the SMILES notation for 6-methoxyisoquinoline-5-carboxamide?
The canonical SMILES for 6-methoxyisoquinoline-5-carboxamide is COc1ccc2cnccc2c1C(N)=O.
What is the InChIKey of 6-methoxyisoquinoline-5-carboxamide?
The InChIKey is IXYWJQSXDQQFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)11(12)14/h2-6H,1H3,(H2,12,14).
What are the key properties of 6-methoxyisoquinoline-5-carboxamide?
6-methoxyisoquinoline-5-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyisoquinoline-5-carboxamide is sourced from PubChem (CID 82573912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).