(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one

C20H14N2O2 — CID 155816951

IUPAC(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1cc(-c2ccccc2)[nH]c1O
InChIInChI=1S/C20H14N2O2/c23-19-15(10-14-8-4-5-9-17(14)21-19)11-16-12-18(22-20(16)24)13-6-2-1-3-7-13/h1-12,22,24H/b15-11+
InChIKeySKXSBQJLZFMIOR-RVDMUPIBSA-N
MW314.34 g/mol
LogP2.41
Rot. Bonds2

About (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one

(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one (PubChem CID 155816951) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one
PubChem CID155816951
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1cc(-c2ccccc2)[nH]c1O
InChIInChI=1S/C20H14N2O2/c23-19-15(10-14-8-4-5-9-17(14)21-19)11-16-12-18(22-20(16)24)13-6-2-1-3-7-13/h1-12,22,24H/b15-11+
InChIKeySKXSBQJLZFMIOR-RVDMUPIBSA-N
XLogP2.41
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one?
The IUPAC name of (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one (CID 155816951) is (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one.
What is the SMILES notation for (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one?
The canonical SMILES for (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one is O=C1N=c2ccccc2=C/C1=C\c1cc(-c2ccccc2)[nH]c1O.
What is the InChIKey of (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one?
The InChIKey is SKXSBQJLZFMIOR-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19-15(10-14-8-4-5-9-17(14)21-19)11-16-12-18(22-20(16)24)13-6-2-1-3-7-13/h1-12,22,24H/b15-11+.
What are the key properties of (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one?
(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one has a molecular weight of 314.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]quinolin-2-one is sourced from PubChem (CID 155816951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).