(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one

C21H16N2O2 — CID 155810661

IUPAC(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one
SMILESCOc1nc2ccccc2cc1/C=C1/C=C(c2ccccc2)NC1=O
InChIInChI=1S/C21H16N2O2/c1-25-21-17(11-15-9-5-6-10-18(15)23-21)12-16-13-19(22-20(16)24)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,24)/b16-12-
InChIKeyLSLPDAQULQITRZ-VBKFSLOCSA-N
MW328.37 g/mol
LogP3.80
Rot. Bonds3

About (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one

(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one (PubChem CID 155810661) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one
PubChem CID155810661
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one
SMILESCOc1nc2ccccc2cc1/C=C1/C=C(c2ccccc2)NC1=O
InChIInChI=1S/C21H16N2O2/c1-25-21-17(11-15-9-5-6-10-18(15)23-21)12-16-13-19(22-20(16)24)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,24)/b16-12-
InChIKeyLSLPDAQULQITRZ-VBKFSLOCSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-2-Phenylquinoline
CID 826247
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
(2E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
CID 2451326
2-Methoxycanthin-6-one
CID 10106139
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
2(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-
CID 454342
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5,6,7,8-tetrahydro-2-methoxy-3-quinolinyl)methyl)amino)-
CID 454376
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-quinolinyl)methyl)amino)-6-methyl-
CID 454377
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(2-(2-Methoxyphenyl)vinyl)quinoline
CID 6279093

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one?
The IUPAC name of (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one (CID 155810661) is (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one.
What is the SMILES notation for (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one?
The canonical SMILES for (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one is COc1nc2ccccc2cc1/C=C1/C=C(c2ccccc2)NC1=O.
What is the InChIKey of (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one?
The InChIKey is LSLPDAQULQITRZ-VBKFSLOCSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-21-17(11-15-9-5-6-10-18(15)23-21)12-16-13-19(22-20(16)24)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,24)/b16-12-.
What are the key properties of (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one?
(3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one has a molecular weight of 328.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-methoxyquinolin-3-yl)methylidene]-5-phenyl-1H-pyrrol-2-one is sourced from PubChem (CID 155810661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).