(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate

C16H12N2O — CID 11021239

IUPAC(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate
SMILES[O-]/C(=N\[n+]1cccc2ccccc21)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h1-12H
InChIKeyZTOZJEULOHXWKO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds2

About (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate

(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate (PubChem CID 11021239) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate.

Molecular Properties

Compound Name(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate
PubChem CID11021239
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate
SMILES[O-]/C(=N\[n+]1cccc2ccccc21)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h1-12H
InChIKeyZTOZJEULOHXWKO-UHFFFAOYSA-N
XLogP1.70
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CID 85025
3-((E)-Styryl)-quinoline
CID 10243001
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707
4-(Hydroxymethyl)quinoline
CID 80479
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
3-Phenylquinoline
CID 282849
Nsc 101984
CID 86054
(Quinolin-3-yl)methanol
CID 12662983
N-methyl-N-(4-(2-(quinolin-4-yl)vinyl)phenyl)nitrous amide
CID 5284422
Quinoline, 4-styryl-
CID 5376704
Quinolin-8-ylmethanol
CID 594412
N-(cinnamylideneamino)quinolin-4-amine
CID 44537091

Frequently Asked Questions

What is the IUPAC name of (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate?
The IUPAC name of (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate (CID 11021239) is (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate.
What is the SMILES notation for (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate?
The canonical SMILES for (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate is [O-]/C(=N\[n+]1cccc2ccccc21)c1ccccc1.
What is the InChIKey of (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate?
The InChIKey is ZTOZJEULOHXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h1-12H.
What are the key properties of (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate?
(Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate has a molecular weight of 248.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-quinolin-1-ium-1-ylbenzenecarboximidate is sourced from PubChem (CID 11021239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).