[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol

C18H13FN2O — CID 168926501

IUPAC[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol
SMILESOCc1ccc2c(cnc3[nH]cc(-c4ccc(F)cc4)c32)c1
InChIInChI=1S/C18H13FN2O/c19-14-4-2-12(3-5-14)16-9-21-18-17(16)15-6-1-11(10-22)7-13(15)8-20-18/h1-9,22H,10H2,(H,20,21)
InChIKeyHIGPPJRFGXPHIV-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.01
Rot. Bonds2

About [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol

[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol (PubChem CID 168926501) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol
PubChem CID168926501
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol
SMILESOCc1ccc2c(cnc3[nH]cc(-c4ccc(F)cc4)c32)c1
InChIInChI=1S/C18H13FN2O/c19-14-4-2-12(3-5-14)16-9-21-18-17(16)15-6-1-11(10-22)7-13(15)8-20-18/h1-9,22H,10H2,(H,20,21)
InChIKeyHIGPPJRFGXPHIV-UHFFFAOYSA-N
XLogP4.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol with MolForge

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Related Compounds

[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide
CID 177349653
(1S)-1-[2-amino-6-[5-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-(3-fluorophenyl)ethanol
CID 70935063
3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333363
[2-fluoro-6-(4-fluorophenyl)-4-pyridinyl]methanol
CID 131870652
N-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 118293044
[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166351915
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 11501785

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol (CID 168926501) is [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol is OCc1ccc2c(cnc3[nH]cc(-c4ccc(F)cc4)c32)c1.
What is the InChIKey of [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol?
The InChIKey is HIGPPJRFGXPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-14-4-2-12(3-5-14)16-9-21-18-17(16)15-6-1-11(10-22)7-13(15)8-20-18/h1-9,22H,10H2,(H,20,21).
What are the key properties of [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol?
[1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3H-pyrrolo[2,3-c]isoquinolin-7-yl]methanol is sourced from PubChem (CID 168926501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).