1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine

C22H23N5O — CID 91081675

IUPAC1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2ccnc(N)c2cc1C
InChIInChI=1S/C11H11N3O.C11H12N2/c1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2/h2-5H,1H3,(H2,12,14)(H2,13,15);3-6H,1-2H3,(H2,12,13)
InChIKeyRNAZKVZMZRJQRX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.66
Rot. Bonds1

About 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine

1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine (PubChem CID 91081675) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine.

Molecular Properties

Compound Name1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine
PubChem CID91081675
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2ccnc(N)c2cc1C
InChIInChI=1S/C11H11N3O.C11H12N2/c1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2/h2-5H,1H3,(H2,12,14)(H2,13,15);3-6H,1-2H3,(H2,12,13)
InChIKeyRNAZKVZMZRJQRX-UHFFFAOYSA-N
XLogP3.66
TPSA120.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-7-methylisoquinoline-6-carboxamide;N'-methanimidoylethanimidamide;6-methylisoquinolin-1-amine
CID 143028455
6-chloro-7-methylisoquinolin-1-amine
CID 21300587
7-methyl-6-methylsulfonylisoquinolin-1-amine
CID 20773271
8-amino-3-methylnaphthalene-2-carboxamide
CID 21300607
6-methylquinoline-7-carboxamide
CID 142343744
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine
CID 159574716
1-chloro-7-methylisoquinoline-6-carboxylic acid
CID 161064816
1,6,7-trimethylisoquinoline
CID 138751801
7-methylisoquinolin-1-amine
CID 18727905
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
3-amino-5-methyl-1,2-benzothiazole-6-carboxamide
CID 58841102

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine?
The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine (CID 91081675) is 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine.
What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine?
The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine is Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2ccnc(N)c2cc1C.
What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine?
The InChIKey is RNAZKVZMZRJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C11H12N2/c1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2/h2-5H,1H3,(H2,12,14)(H2,13,15);3-6H,1-2H3,(H2,12,13).
What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine?
1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine has a molecular weight of 373.46 g/mol, XLogP of 3.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine is sourced from PubChem (CID 91081675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).