(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride

C24H19ClN2O — CID 155551574

IUPAC(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ccccc2n1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O.ClH/c27-24(26-23-16-15-20-13-7-8-14-22(20)25-23)21(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18;/h1-17H,(H,25,26,27);1H/b21-17+;
InChIKeyPNYWDRDDQJQMMX-DIRYEVLESA-N
MW386.88 g/mol
LogP5.84
Rot. Bonds4

About (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride

(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride (PubChem CID 155551574) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride
PubChem CID155551574
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ccccc2n1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O.ClH/c27-24(26-23-16-15-20-13-7-8-14-22(20)25-23)21(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18;/h1-17H,(H,25,26,27);1H/b21-17+;
InChIKeyPNYWDRDDQJQMMX-DIRYEVLESA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride?
The IUPAC name of (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride (CID 155551574) is (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride?
The canonical SMILES for (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride is Cl.O=C(Nc1ccc2ccccc2n1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride?
The InChIKey is PNYWDRDDQJQMMX-DIRYEVLESA-N. The full InChI is InChI=1S/C24H18N2O.ClH/c27-24(26-23-16-15-20-13-7-8-14-22(20)25-23)21(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18;/h1-17H,(H,25,26,27);1H/b21-17+;.
What are the key properties of (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride?
(E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-N-quinolin-2-ylprop-2-enamide;hydrochloride is sourced from PubChem (CID 155551574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).