3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione

C26H17N3O3 — CID 2754398

IUPAC3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
SMILESCN1C(=O)C(=c2[nH][nH]c(=O)c2=C2c3ccccc3-c3ccccc32)C(=O)c2ccccc21
InChIInChI=1S/C26H17N3O3/c1-29-19-13-7-6-12-18(19)24(30)22(26(29)32)23-21(25(31)28-27-23)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13,27H,1H3,(H,28,31)
InChIKeyFTLDSULHOYPPPK-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.94
Rot. Bonds

About 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione

3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione (PubChem CID 2754398) has the molecular formula C26H17N3O3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione.

Molecular Properties

Compound Name3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
PubChem CID2754398
Molecular FormulaC26H17N3O3
Molecular Weight419.44 g/mol
Exact Mass419.13
IUPAC Name3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
SMILESCN1C(=O)C(=c2[nH][nH]c(=O)c2=C2c3ccccc3-c3ccccc32)C(=O)c2ccccc21
InChIInChI=1S/C26H17N3O3/c1-29-19-13-7-6-12-18(19)24(30)22(26(29)32)23-21(25(31)28-27-23)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13,27H,1H3,(H,28,31)
InChIKeyFTLDSULHOYPPPK-UHFFFAOYSA-N
XLogP1.94
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(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-[(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)-1-methyl-3-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 6046821
3-(4-benzylidene-5-oxopyrazolidin-3-ylidene)-1-ethylquinoline-2,4-dione
CID 1270494
(3E)-1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 18529555
1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 3599663
3-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylidene]-1-methylquinoline-2,4-dione
CID 136611843
(11E)-11-(3-bromopropylidene)-5-methylbenzo[c][1]benzazepin-6-one
CID 22998968

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione?
The IUPAC name of 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione (CID 2754398) is 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione.
What is the SMILES notation for 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione?
The canonical SMILES for 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione is CN1C(=O)C(=c2[nH][nH]c(=O)c2=C2c3ccccc3-c3ccccc32)C(=O)c2ccccc21.
What is the InChIKey of 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione?
The InChIKey is FTLDSULHOYPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O3/c1-29-19-13-7-6-12-18(19)24(30)22(26(29)32)23-21(25(31)28-27-23)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13,27H,1H3,(H,28,31).
What are the key properties of 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione?
3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione has a molecular weight of 419.44 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione is sourced from PubChem (CID 2754398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).