5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione

C19H12FNO4 — CID 71729053

IUPAC5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione
SMILESCc1cc(=O)oc2cc(CN3C(=O)C(=O)c4cc(F)ccc43)ccc12
InChIInChI=1S/C19H12FNO4/c1-10-6-17(22)25-16-7-11(2-4-13(10)16)9-21-15-5-3-12(20)8-14(15)18(23)19(21)24/h2-8H,9H2,1H3
InChIKeyUNITXMAGCFITPJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.97
Rot. Bonds2

About 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione

5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione (PubChem CID 71729053) has the molecular formula C19H12FNO4 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione
PubChem CID71729053
Molecular FormulaC19H12FNO4
Molecular Weight337.31 g/mol
Exact Mass337.08
IUPAC Name5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione
SMILESCc1cc(=O)oc2cc(CN3C(=O)C(=O)c4cc(F)ccc43)ccc12
InChIInChI=1S/C19H12FNO4/c1-10-6-17(22)25-16-7-11(2-4-13(10)16)9-21-15-5-3-12(20)8-14(15)18(23)19(21)24/h2-8H,9H2,1H3
InChIKeyUNITXMAGCFITPJ-UHFFFAOYSA-N
XLogP2.97
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]-3H-indol-2-one
CID 71728994
7-ethyl-4-methylchromen-2-one
CID 5160585
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
7-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-4-methylchromen-2-one
CID 50979562
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-fluoroindole-2,3-dione
CID 80656794
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
CID 112640986
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
7-(4,4-dihydroxybutyl)-4-methylchromen-2-one
CID 156779613
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione (CID 71729053) is 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione is Cc1cc(=O)oc2cc(CN3C(=O)C(=O)c4cc(F)ccc43)ccc12.
What is the InChIKey of 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione?
The InChIKey is UNITXMAGCFITPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO4/c1-10-6-17(22)25-16-7-11(2-4-13(10)16)9-21-15-5-3-12(20)8-14(15)18(23)19(21)24/h2-8H,9H2,1H3.
What are the key properties of 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione?
5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione has a molecular weight of 337.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-methyl-2-oxochromen-7-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 71729053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).