(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione

C21H17N3O4 — CID 11100841

IUPAC(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
SMILESCOc1ccccc1/C=c1\c(=O)[nH][nH]\c1=C1\C(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C21H17N3O4/c1-24-15-9-5-4-8-13(15)19(25)17(21(24)27)18-14(20(26)23-22-18)11-12-7-3-6-10-16(12)28-2/h3-11,22H,1-2H3,(H,23,26)/b14-11-,18-17-
InChIKeyBVOAJXFVCMKZOQ-DVJAAEQPSA-N
MW375.38 g/mol
LogP0.55
Rot. Bonds2

About (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione

(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione (PubChem CID 11100841) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
PubChem CID11100841
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
SMILESCOc1ccccc1/C=c1\c(=O)[nH][nH]\c1=C1\C(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C21H17N3O4/c1-24-15-9-5-4-8-13(15)19(25)17(21(24)27)18-14(20(26)23-22-18)11-12-7-3-6-10-16(12)28-2/h3-11,22H,1-2H3,(H,23,26)/b14-11-,18-17-
InChIKeyBVOAJXFVCMKZOQ-DVJAAEQPSA-N
XLogP0.55
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 10904514
(3E)-3-[(4Z)-4-(anthracen-9-ylmethylidene)-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 6034676
3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
CID 2754398
(3E)-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 5499056
(3E)-3-[(4Z)-4-[(2-hydroxynaphthalen-1-yl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 5499844
3-[4-[(2-hydroxynaphthalen-1-yl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 6755906
3-(4-benzylidene-5-oxopyrazolidin-3-ylidene)-1-ethylquinoline-2,4-dione
CID 1270494
(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
5-[(Z)-[(3E)-3-(1-ethyl-2,4-dioxoquinolin-3-ylidene)-5-oxopyrazolidin-4-ylidene]methyl]-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 16744731
(3E)-1-methyl-3-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 6046821
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The IUPAC name of (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione (CID 11100841) is (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione.
What is the SMILES notation for (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The canonical SMILES for (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione is COc1ccccc1/C=c1\c(=O)[nH][nH]\c1=C1\C(=O)c2ccccc2N(C)C1=O.
What is the InChIKey of (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The InChIKey is BVOAJXFVCMKZOQ-DVJAAEQPSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-24-15-9-5-4-8-13(15)19(25)17(21(24)27)18-14(20(26)23-22-18)11-12-7-3-6-10-16(12)28-2/h3-11,22H,1-2H3,(H,23,26)/b14-11-,18-17-.
What are the key properties of (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione has a molecular weight of 375.38 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione is sourced from PubChem (CID 11100841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).