5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one

C21H18N4O — CID 5190133

IUPAC5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc2ccc(C)nc12
InChIInChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,22,24H,2H2,1H3
InChIKeyQNSGZDLSOOCKCU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.28
Rot. Bonds3

About 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one

5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one (PubChem CID 5190133) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
PubChem CID5190133
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc2ccc(C)nc12
InChIInChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,22,24H,2H2,1H3
InChIKeyQNSGZDLSOOCKCU-UHFFFAOYSA-N
XLogP2.28
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2253149
ethyl 2-[(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methylamino]benzoate
CID 5190129
5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one
CID 6894187
4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 5189857
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
CID 3577253
3-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methylamino]benzoic acid
CID 4621387
diethyl 3-methyl-5-[[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]amino]thiophene-2,4-dicarboxylate
CID 2253126
(4Z)-2-(4-chlorophenyl)-4-[(4-hydroxy-2-methylanilino)methylidene]-5-methylidenepyrazolidin-3-one
CID 2253558
N'-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]benzohydrazide
CID 3456648
(4Z)-5-methylidene-2-phenyl-4-[(2,4,6-trimethylanilino)methylidene]pyrazolidine-3-thione
CID 2193680
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one?
The IUPAC name of 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one (CID 5190133) is 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one?
The canonical SMILES for 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc2ccc(C)nc12.
What is the InChIKey of 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one?
The InChIKey is QNSGZDLSOOCKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,22,24H,2H2,1H3.
What are the key properties of 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one?
5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one has a molecular weight of 342.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 5190133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).