4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one

C22H21N3O — CID 773819

IUPAC4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
SMILESCCN1C(=C2C(=O)N(c3ccccc3)N=C2C)C=Cc2cc(C)ccc21
InChIInChI=1S/C22H21N3O/c1-4-24-19-12-10-15(2)14-17(19)11-13-20(24)21-16(3)23-25(22(21)26)18-8-6-5-7-9-18/h5-14H,4H2,1-3H3
InChIKeyCAZPNHLFHPPXJA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.52
Rot. Bonds2

About 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one

4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one (PubChem CID 773819) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
PubChem CID773819
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
SMILESCCN1C(=C2C(=O)N(c3ccccc3)N=C2C)C=Cc2cc(C)ccc21
InChIInChI=1S/C22H21N3O/c1-4-24-19-12-10-15(2)14-17(19)11-13-20(24)21-16(3)23-25(22(21)26)18-8-6-5-7-9-18/h5-14H,4H2,1-3H3
InChIKeyCAZPNHLFHPPXJA-UHFFFAOYSA-N
XLogP4.52
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 3725448
(2E)-2-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-(1-ethyl-6-methylquinolin-2-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 7994982
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1204513
(4Z)-4-[3-[(E)-(1-ethylquinolin-2-ylidene)methyl]cyclohex-2-en-1-ylidene]-5-methyl-2-phenylpyrazol-3-one
CID 44669264
(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 2192577
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 4313497
(5Z)-3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 6066392
(4E)-4-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]-5-methyl-2-phenylpyrazol-3-one
CID 99888574
4-methyl-2-phenylcyclopenta[c]pyrazol-3-one
CID 69297197
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 3698104
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 6383687

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one (CID 773819) is 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one is CCN1C(=C2C(=O)N(c3ccccc3)N=C2C)C=Cc2cc(C)ccc21.
What is the InChIKey of 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is CAZPNHLFHPPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-4-24-19-12-10-15(2)14-17(19)11-13-20(24)21-16(3)23-25(22(21)26)18-8-6-5-7-9-18/h5-14H,4H2,1-3H3.
What are the key properties of 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one?
4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 343.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 773819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).