(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol

C16H12N2O — CID 135507984

IUPAC(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol
SMILESO/C(=C\c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C16H12N2O/c19-16(13-7-9-17-10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-11,19H/b16-11-
InChIKeyCNGHOAARTMGHEY-WJDWOHSUSA-N
MW248.28 g/mol
LogP3.69
Rot. Bonds2

About (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol

(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol (PubChem CID 135507984) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol.

Molecular Properties

Compound Name(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol
PubChem CID135507984
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol
SMILESO/C(=C\c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C16H12N2O/c19-16(13-7-9-17-10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-11,19H/b16-11-
InChIKeyCNGHOAARTMGHEY-WJDWOHSUSA-N
XLogP3.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol?
The IUPAC name of (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol (CID 135507984) is (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol.
What is the SMILES notation for (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol?
The canonical SMILES for (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol is O/C(=C\c1ccc2ccccc2n1)c1ccncc1.
What is the InChIKey of (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol?
The InChIKey is CNGHOAARTMGHEY-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(13-7-9-17-10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-11,19H/b16-11-.
What are the key properties of (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol?
(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol has a molecular weight of 248.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol is sourced from PubChem (CID 135507984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).