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

C27H19N5O5 — CID 16744731

IUPAC5-[(Z)-[(3E)-3-(1-ethyl-2,4-dioxoquinolin-3-ylidene)-5-oxopyrazolidin-4-ylidene]methyl]-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN1C(=O)/C(=c2/[nH][nH]c(=O)/c2=C\c2cc(C#N)c(=O)[nH]c2-c2ccccc2O)C(=O)c2ccccc21
InChIInChI=1S/C27H19N5O5/c1-2-32-19-9-5-3-7-16(19)24(34)21(27(32)37)23-18(26(36)31-30-23)12-14-11-15(13-28)25(35)29-22(14)17-8-4-6-10-20(17)33/h3-12,30,33H,2H2,1H3,(H,29,35)(H,31,36)/b18-12-,23-21+
InChIKeyKCCKDGYAKHUMKN-LMCHCYRTSA-N
MW493.48 g/mol
LogP0.86
Rot. Bonds3

About 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

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 (PubChem CID 16744731) has the molecular formula C27H19N5O5 and a molecular weight of 493.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(Z)-[(3E)-3-(1-ethyl-2,4-dioxoquinolin-3-ylidene)-5-oxopyrazolidin-4-ylidene]methyl]-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID16744731
Molecular FormulaC27H19N5O5
Molecular Weight493.48 g/mol
Exact Mass493.14
IUPAC Name5-[(Z)-[(3E)-3-(1-ethyl-2,4-dioxoquinolin-3-ylidene)-5-oxopyrazolidin-4-ylidene]methyl]-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN1C(=O)/C(=c2/[nH][nH]c(=O)/c2=C\c2cc(C#N)c(=O)[nH]c2-c2ccccc2O)C(=O)c2ccccc21
InChIInChI=1S/C27H19N5O5/c1-2-32-19-9-5-3-7-16(19)24(34)21(27(32)37)23-18(26(36)31-30-23)12-14-11-15(13-28)25(35)29-22(14)17-8-4-6-10-20(17)33/h3-12,30,33H,2H2,1H3,(H,29,35)(H,31,36)/b18-12-,23-21+
InChIKeyKCCKDGYAKHUMKN-LMCHCYRTSA-N
XLogP0.86
TPSA162.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylidene-5-oxopyrazolidin-3-ylidene)-1-ethylquinoline-2,4-dione
CID 1270494
(3Z)-3-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 10904514
(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
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
(3E)-1-ethyl-3-[(4Z)-5-oxo-4-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-5H-1,5-benzothiazepin-3-yl]methylidene]pyrazolidin-3-ylidene]quinoline-2,4-dione
CID 16742731
(3Z)-3-[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 11100841
(3E)-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
CID 5499056
3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
CID 2754398
(3E)-1-ethyl-3-[[3-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]quinoline-2,4-dione
CID 135689432
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-ethylindol-2-one
CID 91046180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C(=O)/C(=c2/[nH][nH]c(=O)/c2=C\c2cc(C#N)c(=O)[nH]c2-c2ccccc2O)C(=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is KCCKDGYAKHUMKN-LMCHCYRTSA-N. The full InChI is InChI=1S/C27H19N5O5/c1-2-32-19-9-5-3-7-16(19)24(34)21(27(32)37)23-18(26(36)31-30-23)12-14-11-15(13-28)25(35)29-22(14)17-8-4-6-10-20(17)33/h3-12,30,33H,2H2,1H3,(H,29,35)(H,31,36)/b18-12-,23-21+.
What are the key properties of 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?
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 has a molecular weight of 493.48 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16744731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).