quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate

C16H11NO3 — CID 778948

IUPACquinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1cccc2cccnc12
InChIInChI=1S/C16H11NO3/c18-15(9-8-13-6-3-11-19-13)20-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H/b9-8+
InChIKeyDTRRCZYJQSFXOH-CMDGGOBGSA-N
MW265.27 g/mol
LogP3.45
Rot. Bonds3

About quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate

quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 778948) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namequinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID778948
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Namequinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1cccc2cccnc12
InChIInChI=1S/C16H11NO3/c18-15(9-8-13-6-3-11-19-13)20-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H/b9-8+
InChIKeyDTRRCZYJQSFXOH-CMDGGOBGSA-N
XLogP3.45
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate (CID 778948) is quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is DTRRCZYJQSFXOH-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(9-8-13-6-3-11-19-13)20-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H/b9-8+.
What are the key properties of quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate?
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 265.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).