(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile

C19H10Cl2N2O — CID 55772039

IUPAC(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccc2ncccc2c1)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H10Cl2N2O/c20-15-4-1-5-16(21)18(15)19(24)14(11-22)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H/b14-10-
InChIKeyUZGOLSMJQBOTPJ-UVTDQMKNSA-N
MW353.21 g/mol
LogP5.33
Rot. Bonds3

About (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile

(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile (PubChem CID 55772039) has the molecular formula C19H10Cl2N2O and a molecular weight of 353.21 g/mol. Its IUPAC name is (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile
PubChem CID55772039
Molecular FormulaC19H10Cl2N2O
Molecular Weight353.21 g/mol
Exact Mass352.02
IUPAC Name(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccc2ncccc2c1)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H10Cl2N2O/c20-15-4-1-5-16(21)18(15)19(24)14(11-22)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H/b14-10-
InChIKeyUZGOLSMJQBOTPJ-UVTDQMKNSA-N
XLogP5.33
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.21
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(2,6-dichlorobenzoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 47046373
N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55355645
(E)-2-(2,6-dichlorobenzoyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enenitrile
CID 52644357
(E)-2-(2,6-dichlorobenzoyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enenitrile
CID 134040824
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 7790515
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
2-benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
CID 5044481
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
4,4-dimethyl-2-(naphthalen-2-ylmethylidene)-3-oxopentanenitrile
CID 4099815

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile (CID 55772039) is (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile is N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile?
The InChIKey is UZGOLSMJQBOTPJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H10Cl2N2O/c20-15-4-1-5-16(21)18(15)19(24)14(11-22)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H/b14-10-.
What are the key properties of (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile?
(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile has a molecular weight of 353.21 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile is sourced from PubChem (CID 55772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).