N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine

C13H12N2 — CID 131966589

IUPACN-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine
SMILESC=Nc1cnc2ccccc2c1/C=C\C
InChIInChI=1S/C13H12N2/c1-3-6-10-11-7-4-5-8-12(11)15-9-13(10)14-2/h3-9H,2H2,1H3/b6-3-
InChIKeyAHSUNNOPPKTIOK-UTCJRWHESA-N
MW196.25 g/mol
LogP3.60
Rot. Bonds2

About N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine

N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine (PubChem CID 131966589) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine.

Molecular Properties

Compound NameN-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine
PubChem CID131966589
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC NameN-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine
SMILESC=Nc1cnc2ccccc2c1/C=C\C
InChIInChI=1S/C13H12N2/c1-3-6-10-11-7-4-5-8-12(11)15-9-13(10)14-2/h3-9H,2H2,1H3/b6-3-
InChIKeyAHSUNNOPPKTIOK-UTCJRWHESA-N
XLogP3.60
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
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 N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine?
The IUPAC name of N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine (CID 131966589) is N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine.
What is the SMILES notation for N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine?
The canonical SMILES for N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine is C=Nc1cnc2ccccc2c1/C=C\C.
What is the InChIKey of N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine?
The InChIKey is AHSUNNOPPKTIOK-UTCJRWHESA-N. The full InChI is InChI=1S/C13H12N2/c1-3-6-10-11-7-4-5-8-12(11)15-9-13(10)14-2/h3-9H,2H2,1H3/b6-3-.
What are the key properties of N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine?
N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine has a molecular weight of 196.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine is sourced from PubChem (CID 131966589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).