2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

C23H13Cl2N3O2 — CID 2873316

IUPAC2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)
InChIKeyRFDDNINWPNXLOG-UHFFFAOYSA-N
MW434.28 g/mol
LogP6.35
Rot. Bonds4

About 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide (PubChem CID 2873316) has the molecular formula C23H13Cl2N3O2 and a molecular weight of 434.28 g/mol. Its IUPAC name is 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
PubChem CID2873316
Molecular FormulaC23H13Cl2N3O2
Molecular Weight434.28 g/mol
Exact Mass433.04
IUPAC Name2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)
InChIKeyRFDDNINWPNXLOG-UHFFFAOYSA-N
XLogP6.35
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.28
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 1184288
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863481
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide
CID 6305159
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 18863705
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 3444299
(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 18863503
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 18863606
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 18863558
(E)-2-cyano-3-[5-(2-cyanophenyl)furan-2-yl]-N-(2,3-dimethylphenyl)prop-2-enamide
CID 126013865

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide (CID 2873316) is 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide is N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The InChIKey is RFDDNINWPNXLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29).
What are the key properties of 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide has a molecular weight of 434.28 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 2873316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).