(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile

C18H12N2 — CID 170857761

IUPAC(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H12N2/c19-13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)20-17/h1-12H/b16-12-
InChIKeyKOXRDDLUBHRKDR-VBKFSLOCSA-N
MW256.31 g/mol
LogP4.30
Rot. Bonds2

About (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile

(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile (PubChem CID 170857761) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
PubChem CID170857761
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H12N2/c19-13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)20-17/h1-12H/b16-12-
InChIKeyKOXRDDLUBHRKDR-VBKFSLOCSA-N
XLogP4.30
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile
CID 4897205
(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile
CID 134468922
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
3-bromo-1-quinolin-2-ylprop-1-en-2-ol
CID 168664823
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
(Z)-3-(2-phenylpyrimidin-5-yl)-2-quinolin-2-ylprop-2-enenitrile
CID 94469004
quinoline-2-carbaldehyde;hydrate
CID 158547927
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile?
The IUPAC name of (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile (CID 170857761) is (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile is N#C/C(=C/c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile?
The InChIKey is KOXRDDLUBHRKDR-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H12N2/c19-13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)20-17/h1-12H/b16-12-.
What are the key properties of (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile?
(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile has a molecular weight of 256.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile is sourced from PubChem (CID 170857761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).