8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C23H23FN2O2 — CID 24894106

IUPAC8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1c(CNC3(CO)CCCC3)cc(F)cc1-2
InChIInChI=1S/C23H23FN2O2/c24-15-9-14(12-25-23(13-27)7-3-4-8-23)18-11-20-16-5-1-2-6-17(16)22(28)26-21(20)19(18)10-15/h1-2,5-6,9-10,25,27H,3-4,7-8,11-13H2,(H,26,28)
InChIKeyDOXJYDCUFNSOQJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.63
Rot. Bonds4

About 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 24894106) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID24894106
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1c(CNC3(CO)CCCC3)cc(F)cc1-2
InChIInChI=1S/C23H23FN2O2/c24-15-9-14(12-25-23(13-27)7-3-4-8-23)18-11-20-16-5-1-2-6-17(16)22(28)26-21(20)19(18)10-15/h1-2,5-6,9-10,25,27H,3-4,7-8,11-13H2,(H,26,28)
InChIKeyDOXJYDCUFNSOQJ-UHFFFAOYSA-N
XLogP3.63
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 24894106) is 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)Cc1c(CNC3(CO)CCCC3)cc(F)cc1-2.
What is the InChIKey of 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is DOXJYDCUFNSOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-15-9-14(12-25-23(13-27)7-3-4-8-23)18-11-20-16-5-1-2-6-17(16)22(28)26-21(20)19(18)10-15/h1-2,5-6,9-10,25,27H,3-4,7-8,11-13H2,(H,26,28).
What are the key properties of 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 378.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 24894106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).