N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine

C16H16N2 — CID 88560794

IUPACN-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine
SMILESC=C/C(=N\C=C/CC)c1ccc2ccccc2n1
InChIInChI=1S/C16H16N2/c1-3-5-12-17-14(4-2)16-11-10-13-8-6-7-9-15(13)18-16/h4-12H,2-3H2,1H3/b12-5-,17-14+
InChIKeyWJOBQCAZXJKAJI-XCOPBMGHSA-N
MW236.32 g/mol
LogP4.13
Rot. Bonds4

About N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine

N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine (PubChem CID 88560794) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine
PubChem CID88560794
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine
SMILESC=C/C(=N\C=C/CC)c1ccc2ccccc2n1
InChIInChI=1S/C16H16N2/c1-3-5-12-17-14(4-2)16-11-10-13-8-6-7-9-15(13)18-16/h4-12H,2-3H2,1H3/b12-5-,17-14+
InChIKeyWJOBQCAZXJKAJI-XCOPBMGHSA-N
XLogP4.13
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.13
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-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine?
The IUPAC name of N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine (CID 88560794) is N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine is C=C/C(=N\C=C/CC)c1ccc2ccccc2n1.
What is the InChIKey of N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine?
The InChIKey is WJOBQCAZXJKAJI-XCOPBMGHSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-5-12-17-14(4-2)16-11-10-13-8-6-7-9-15(13)18-16/h4-12H,2-3H2,1H3/b12-5-,17-14+.
What are the key properties of N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine?
N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine has a molecular weight of 236.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 88560794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).