3H-quinolin-2-imine

C9H8N2 — CID 101216919

IUPAC3H-quinolin-2-imine
SMILES[H]/N=C1\CC=c2ccccc2=N1
InChIInChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,10H,6H2/b10-9+
InChIKeyKSSRKUKLPKEYCZ-MDZDMXLPSA-N
MW144.18 g/mol
LogP0.47
Rot. Bonds

About 3H-quinolin-2-imine

3H-quinolin-2-imine (PubChem CID 101216919) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3H-quinolin-2-imine.

Molecular Properties

Compound Name3H-quinolin-2-imine
PubChem CID101216919
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3H-quinolin-2-imine
SMILES[H]/N=C1\CC=c2ccccc2=N1
InChIInChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,10H,6H2/b10-9+
InChIKeyKSSRKUKLPKEYCZ-MDZDMXLPSA-N
XLogP0.47
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Iminoindole
CID 22452072
Quinoline-2,3-diimine
CID 53957013
2,8-Bis(imino)quinoline
CID 69669048
6-Fluoroquinoxaline-2,3-diimine
CID 129119739
Iminobenzazepine
CID 129797699
2-Amino-3,1-benzoselenazine
CID 139266837
6-(trifluoromethyl)-4aH-quinolin-2-imine
CID 146674771
3(2H)-Quinolinimine
CID 53424822
2,3-Diiminoquinoline-7,8-dicarbonitrile
CID 54227804
4-[2-(4-Iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
CID 67932532
2,3-Diiminoquinoline-4-carbonitrile
CID 68522826
Cobalt(2+);quinoline-2,8-diimine;dichloride
CID 69669047

Frequently Asked Questions

What is the IUPAC name of 3H-quinolin-2-imine?
The IUPAC name of 3H-quinolin-2-imine (CID 101216919) is 3H-quinolin-2-imine.
What is the SMILES notation for 3H-quinolin-2-imine?
The canonical SMILES for 3H-quinolin-2-imine is [H]/N=C1\CC=c2ccccc2=N1.
What is the InChIKey of 3H-quinolin-2-imine?
The InChIKey is KSSRKUKLPKEYCZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,10H,6H2/b10-9+.
What are the key properties of 3H-quinolin-2-imine?
3H-quinolin-2-imine has a molecular weight of 144.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-quinolin-2-imine is sourced from PubChem (CID 101216919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).