(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

C23H14N4O4 — CID 1184288

IUPAC(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H14N4O4/c24-14-15(23(28)26-20-8-3-7-19-17(20)6-4-12-25-19)13-16-10-11-22(31-16)18-5-1-2-9-21(18)27(29)30/h1-13H,(H,26,28)/b15-13-
InChIKeyVQQWRJDELHXVLF-SQFISAMPSA-N
MW410.39 g/mol
LogP4.95
Rot. Bonds5

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

(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide (PubChem CID 1184288) has the molecular formula C23H14N4O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
PubChem CID1184288
Molecular FormulaC23H14N4O4
Molecular Weight410.39 g/mol
Exact Mass410.10
IUPAC Name(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C23H14N4O4/c24-14-15(23(28)26-20-8-3-7-19-17(20)6-4-12-25-19)13-16-10-11-22(31-16)18-5-1-2-9-21(18)27(29)30/h1-13H,(H,26,28)/b15-13-
InChIKeyVQQWRJDELHXVLF-SQFISAMPSA-N
XLogP4.95
TPSA122.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 2873316
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 6286022
(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1355038
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 3517878
(E)-2-cyano-N-(2-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 18863676
3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 3326557
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 1189790
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 18863606
(Z)-2-cyano-N-(2-fluorophenyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 2275178
methyl 2-[[(E)-2-cyano-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
CID 18863845
(E)-2-cyano-N-(3-methoxypropyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 24508726

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide (CID 1184288) is (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide is N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
The InChIKey is VQQWRJDELHXVLF-SQFISAMPSA-N. The full InChI is InChI=1S/C23H14N4O4/c24-14-15(23(28)26-20-8-3-7-19-17(20)6-4-12-25-19)13-16-10-11-22(31-16)18-5-1-2-9-21(18)27(29)30/h1-13H,(H,26,28)/b15-13-.
What are the key properties of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide?
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide has a molecular weight of 410.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 1184288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).