8-amino-N-methylisoquinoline-1-carboxamide

C11H11N3O — CID 82571782

IUPAC8-amino-N-methylisoquinoline-1-carboxamide
SMILESCNC(=O)c1nccc2cccc(N)c12
InChIInChI=1S/C11H11N3O/c1-13-11(15)10-9-7(5-6-14-10)3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15)
InChIKeyBQKSVHVJJJHKFE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.18
Rot. Bonds1

About 8-amino-N-methylisoquinoline-1-carboxamide

8-amino-N-methylisoquinoline-1-carboxamide (PubChem CID 82571782) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-amino-N-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name8-amino-N-methylisoquinoline-1-carboxamide
PubChem CID82571782
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name8-amino-N-methylisoquinoline-1-carboxamide
SMILESCNC(=O)c1nccc2cccc(N)c12
InChIInChI=1S/C11H11N3O/c1-13-11(15)10-9-7(5-6-14-10)3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15)
InChIKeyBQKSVHVJJJHKFE-UHFFFAOYSA-N
XLogP1.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-amino-N-tert-butylisoquinoline-1-carboxamide
CID 82571794
8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 82571789
5-amino-N,7-dimethylisoquinoline-1-carboxamide
CID 82571826
1-N-tert-butylisoquinoline-1,8-diamine
CID 82569878
1-N-ethylisoquinoline-1,8-diamine
CID 82569868
1-N-(3-methoxypropyl)isoquinoline-1,8-diamine
CID 82569893
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
3-(hydrazinecarbonyl)-N-methylpyridine-2-carboxamide
CID 140772564
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
1-N-(pyridin-4-ylmethyl)isoquinoline-1,8-diamine
CID 82569920

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-methylisoquinoline-1-carboxamide?
The IUPAC name of 8-amino-N-methylisoquinoline-1-carboxamide (CID 82571782) is 8-amino-N-methylisoquinoline-1-carboxamide.
What is the SMILES notation for 8-amino-N-methylisoquinoline-1-carboxamide?
The canonical SMILES for 8-amino-N-methylisoquinoline-1-carboxamide is CNC(=O)c1nccc2cccc(N)c12.
What is the InChIKey of 8-amino-N-methylisoquinoline-1-carboxamide?
The InChIKey is BQKSVHVJJJHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-13-11(15)10-9-7(5-6-14-10)3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 8-amino-N-methylisoquinoline-1-carboxamide?
8-amino-N-methylisoquinoline-1-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 82571782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).