(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid

C20H13NO3 — CID 142717452

IUPAC(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C(\c1ccccc1)c1cc2cnc3ccccc3c2o1
InChIInChI=1S/C20H13NO3/c22-19(23)11-16(13-6-2-1-3-7-13)18-10-14-12-21-17-9-5-4-8-15(17)20(14)24-18/h1-12H,(H,22,23)/b16-11+
InChIKeyHICHMCLCUGNNQL-LFIBNONCSA-N
MW315.33 g/mol
LogP4.50
Rot. Bonds3

About (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid

(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid (PubChem CID 142717452) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid
PubChem CID142717452
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C(\c1ccccc1)c1cc2cnc3ccccc3c2o1
InChIInChI=1S/C20H13NO3/c22-19(23)11-16(13-6-2-1-3-7-13)18-10-14-12-21-17-9-5-4-8-15(17)20(14)24-18/h1-12H,(H,22,23)/b16-11+
InChIKeyHICHMCLCUGNNQL-LFIBNONCSA-N
XLogP4.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid (CID 142717452) is (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid is O=C(O)/C=C(\c1ccccc1)c1cc2cnc3ccccc3c2o1.
What is the InChIKey of (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid?
The InChIKey is HICHMCLCUGNNQL-LFIBNONCSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19(23)11-16(13-6-2-1-3-7-13)18-10-14-12-21-17-9-5-4-8-15(17)20(14)24-18/h1-12H,(H,22,23)/b16-11+.
What are the key properties of (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid?
(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid has a molecular weight of 315.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid is sourced from PubChem (CID 142717452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).