3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

C24H18N6O2 — CID 72685071

IUPAC3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCc1ccc2cccc(NC(=O)C(=Cc3ccco3)n3nnnc3-c3ccccc3)c2n1
InChIInChI=1S/C24H18N6O2/c1-16-12-13-17-9-5-11-20(22(17)25-16)26-24(31)21(15-19-10-6-14-32-19)30-23(27-28-29-30)18-7-3-2-4-8-18/h2-15H,1H3,(H,26,31)
InChIKeyRQFBTZMYENFZCW-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.43
Rot. Bonds5

About 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (PubChem CID 72685071) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
PubChem CID72685071
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCc1ccc2cccc(NC(=O)C(=Cc3ccco3)n3nnnc3-c3ccccc3)c2n1
InChIInChI=1S/C24H18N6O2/c1-16-12-13-17-9-5-11-20(22(17)25-16)26-24(31)21(15-19-10-6-14-32-19)30-23(27-28-29-30)18-7-3-2-4-8-18/h2-15H,1H3,(H,26,31)
InChIKeyRQFBTZMYENFZCW-UHFFFAOYSA-N
XLogP4.43
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (CID 72685071) is 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is Cc1ccc2cccc(NC(=O)C(=Cc3ccco3)n3nnnc3-c3ccccc3)c2n1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The InChIKey is RQFBTZMYENFZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-16-12-13-17-9-5-11-20(22(17)25-16)26-24(31)21(15-19-10-6-14-32-19)30-23(27-28-29-30)18-7-3-2-4-8-18/h2-15H,1H3,(H,26,31).
What are the key properties of 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide has a molecular weight of 422.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 72685071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).