8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one

C20H16FNO3 — CID 156876307

IUPAC8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)cc(N3Cc4ccc(F)cc4C3)oc12
InChIInChI=1S/C20H16FNO3/c1-11-5-16(12(2)23)20-17(6-11)18(24)8-19(25-20)22-9-13-3-4-15(21)7-14(13)10-22/h3-8H,9-10H2,1-2H3
InChIKeyMSUSXLFERCJLQW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.96
Rot. Bonds2

About 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one

8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one (PubChem CID 156876307) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one.

Molecular Properties

Compound Name8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
PubChem CID156876307
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)cc(N3Cc4ccc(F)cc4C3)oc12
InChIInChI=1S/C20H16FNO3/c1-11-5-16(12(2)23)20-17(6-11)18(24)8-19(25-20)22-9-13-3-4-15(21)7-14(13)10-22/h3-8H,9-10H2,1-2H3
InChIKeyMSUSXLFERCJLQW-UHFFFAOYSA-N
XLogP3.96
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166035095
(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166558824
2-[1-[2-(5-cyano-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-5-fluorobenzoic acid
CID 156876350
8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 156876394
methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
CID 166035063
6-chloro-3-[1-[6-fluoro-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 156876706
2-[2-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]benzoic acid
CID 166772869
methyl 2-[1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoate
CID 166035157
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
2-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylbenzamide
CID 156876561
2-[1-[2-(5-cyano-1,3-dihydroisoindol-2-yl)-6-fluoro-4-oxochromen-8-yl]ethylamino]benzoic acid
CID 156876556
5-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 156876708

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The IUPAC name of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one (CID 156876307) is 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one.
What is the SMILES notation for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The canonical SMILES for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one is CC(=O)c1cc(C)cc2c(=O)cc(N3Cc4ccc(F)cc4C3)oc12.
What is the InChIKey of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The InChIKey is MSUSXLFERCJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-11-5-16(12(2)23)20-17(6-11)18(24)8-19(25-20)22-9-13-3-4-15(21)7-14(13)10-22/h3-8H,9-10H2,1-2H3.
What are the key properties of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one has a molecular weight of 337.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one is sourced from PubChem (CID 156876307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).