7-methylisoquinolin-8-amine

C10H10N2 — CID 44532010

IUPAC7-methylisoquinolin-8-amine
SMILESCc1ccc2ccncc2c1N
InChIInChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-6-9(8)10(7)11/h2-6H,11H2,1H3
InChIKeyFSFSSCUCTCCPMC-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds

About 7-methylisoquinolin-8-amine

7-methylisoquinolin-8-amine (PubChem CID 44532010) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-methylisoquinolin-8-amine.

Molecular Properties

Compound Name7-methylisoquinolin-8-amine
PubChem CID44532010
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name7-methylisoquinolin-8-amine
SMILESCc1ccc2ccncc2c1N
InChIInChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-6-9(8)10(7)11/h2-6H,11H2,1H3
InChIKeyFSFSSCUCTCCPMC-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methylisoquinolin-8-amine?
The IUPAC name of 7-methylisoquinolin-8-amine (CID 44532010) is 7-methylisoquinolin-8-amine.
What is the SMILES notation for 7-methylisoquinolin-8-amine?
The canonical SMILES for 7-methylisoquinolin-8-amine is Cc1ccc2ccncc2c1N.
What is the InChIKey of 7-methylisoquinolin-8-amine?
The InChIKey is FSFSSCUCTCCPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-6-9(8)10(7)11/h2-6H,11H2,1H3.
What are the key properties of 7-methylisoquinolin-8-amine?
7-methylisoquinolin-8-amine has a molecular weight of 158.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylisoquinolin-8-amine is sourced from PubChem (CID 44532010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).