2H-quinolin-3-imine

C9H8N2 — CID 53424822

IUPAC2H-quinolin-3-imine
SMILES[H]/N=C1/C=c2ccccc2=NC1
InChIInChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5,10H,6H2/b10-8-
InChIKeyTYKBASBVACVZAS-NTMALXAHSA-N
MW144.18 g/mol
LogP0.12
Rot. Bonds

About 2H-quinolin-3-imine

2H-quinolin-3-imine (PubChem CID 53424822) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2H-quinolin-3-imine.

Molecular Properties

Compound Name2H-quinolin-3-imine
PubChem CID53424822
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2H-quinolin-3-imine
SMILES[H]/N=C1/C=c2ccccc2=NC1
InChIInChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5,10H,6H2/b10-8-
InChIKeyTYKBASBVACVZAS-NTMALXAHSA-N
XLogP0.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-quinolin-3-imine?
The IUPAC name of 2H-quinolin-3-imine (CID 53424822) is 2H-quinolin-3-imine.
What is the SMILES notation for 2H-quinolin-3-imine?
The canonical SMILES for 2H-quinolin-3-imine is [H]/N=C1/C=c2ccccc2=NC1.
What is the InChIKey of 2H-quinolin-3-imine?
The InChIKey is TYKBASBVACVZAS-NTMALXAHSA-N. The full InChI is InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5,10H,6H2/b10-8-.
What are the key properties of 2H-quinolin-3-imine?
2H-quinolin-3-imine has a molecular weight of 144.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinolin-3-imine is sourced from PubChem (CID 53424822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).