7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one

C21H29FN2O3 — CID 118160979

IUPAC7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one
SMILESCC(C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1)N1CCOCC1
InChIInChI=1S/C21H29FN2O3/c1-14(23-8-10-27-11-9-23)16-4-2-15(3-5-16)12-24-13-17-6-7-18(25)20(22)19(17)21(24)26/h6-7,14-16,25H,2-5,8-13H2,1H3
InChIKeyVMZZWANULZBBGH-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.01
Rot. Bonds4

About 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one

7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one (PubChem CID 118160979) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one
PubChem CID118160979
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one
SMILESCC(C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1)N1CCOCC1
InChIInChI=1S/C21H29FN2O3/c1-14(23-8-10-27-11-9-23)16-4-2-15(3-5-16)12-24-13-17-6-7-18(25)20(22)19(17)21(24)26/h6-7,14-16,25H,2-5,8-13H2,1H3
InChIKeyVMZZWANULZBBGH-UHFFFAOYSA-N
XLogP3.01
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one (CID 118160979) is 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one is CC(C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1)N1CCOCC1.
What is the InChIKey of 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one?
The InChIKey is VMZZWANULZBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-14(23-8-10-27-11-9-23)16-4-2-15(3-5-16)12-24-13-17-6-7-18(25)20(22)19(17)21(24)26/h6-7,14-16,25H,2-5,8-13H2,1H3.
What are the key properties of 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one?
7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one has a molecular weight of 376.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-2-[[4-(1-morpholin-4-ylethyl)cyclohexyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 118160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).