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

C20H15N3O4 — CID 10904514

IUPAC(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
SMILESCN1C(=O)/C(=c2\[nH][nH]c(=O)\c2=C/c2ccccc2O)C(=O)c2ccccc21
InChIInChI=1S/C20H15N3O4/c1-23-14-8-4-3-7-12(14)18(25)16(20(23)27)17-13(19(26)22-21-17)10-11-6-2-5-9-15(11)24/h2-10,21,24H,1H3,(H,22,26)/b13-10-,17-16-
InChIKeyKRROWEKGYCWUAM-GULLIVQYSA-N
MW361.36 g/mol
LogP0.25
Rot. Bonds1

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

(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione (PubChem CID 10904514) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
PubChem CID10904514
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
SMILESCN1C(=O)/C(=c2\[nH][nH]c(=O)\c2=C/c2ccccc2O)C(=O)c2ccccc21
InChIInChI=1S/C20H15N3O4/c1-23-14-8-4-3-7-12(14)18(25)16(20(23)27)17-13(19(26)22-21-17)10-11-6-2-5-9-15(11)24/h2-10,21,24H,1H3,(H,22,26)/b13-10-,17-16-
InChIKeyKRROWEKGYCWUAM-GULLIVQYSA-N
XLogP0.25
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione with MolForge

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Related Compounds

(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 11100841
3-[4-[(2-hydroxynaphthalen-1-yl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 6755906
(3E)-3-[(4Z)-4-[(2-hydroxynaphthalen-1-yl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 5499844
(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-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
3-(4-benzylidene-5-oxopyrazolidin-3-ylidene)-1-ethylquinoline-2,4-dione
CID 1270494
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-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylidene]-1-methylquinoline-2,4-dione
CID 136611843
(3E)-1-ethyl-3-[(4Z)-4-[[8-(2-hydroxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-7-yl]methylidene]-5-oxopyrazolidin-3-ylidene]quinoline-2,4-dione
CID 135665941

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The IUPAC name of (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione (CID 10904514) is (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione.
What is the SMILES notation for (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The canonical SMILES for (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione is CN1C(=O)/C(=c2\[nH][nH]c(=O)\c2=C/c2ccccc2O)C(=O)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
The InChIKey is KRROWEKGYCWUAM-GULLIVQYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-23-14-8-4-3-7-12(14)18(25)16(20(23)27)17-13(19(26)22-21-17)10-11-6-2-5-9-15(11)24/h2-10,21,24H,1H3,(H,22,26)/b13-10-,17-16-.
What are the key properties of (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione?
(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione has a molecular weight of 361.36 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione is sourced from PubChem (CID 10904514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).