(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride

C18H14ClN3O2 — CID 15944735

IUPAC(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1.Cl
InChIInChI=1S/C18H13N3O2.ClH/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16;/h2-10H,1H3,(H,21,22);1H/b13-10+;
InChIKeyDLKRCLMWGBCNOC-RSGUCCNWSA-N
MW339.78 g/mol
LogP4.10
Rot. Bonds3

About (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride

(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride (PubChem CID 15944735) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride
PubChem CID15944735
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1.Cl
InChIInChI=1S/C18H13N3O2.ClH/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16;/h2-10H,1H3,(H,21,22);1H/b13-10+;
InChIKeyDLKRCLMWGBCNOC-RSGUCCNWSA-N
XLogP4.10
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride?
The IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride (CID 15944735) is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride?
The canonical SMILES for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride is Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1.Cl.
What is the InChIKey of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride?
The InChIKey is DLKRCLMWGBCNOC-RSGUCCNWSA-N. The full InChI is InChI=1S/C18H13N3O2.ClH/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16;/h2-10H,1H3,(H,21,22);1H/b13-10+;.
What are the key properties of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride?
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride has a molecular weight of 339.78 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride is sourced from PubChem (CID 15944735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).