[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol

C18H12BrFN2O — CID 18729534

IUPAC[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12
InChIInChI=1S/C18H12BrFN2O/c19-11-4-5-16-13(7-11)14(8-21-16)17-6-10(9-23)12-2-1-3-15(20)18(12)22-17/h1-8,21,23H,9H2
InChIKeyAGBLINKOXROIMZ-UHFFFAOYSA-N
MW371.21 g/mol
LogP4.78
Rot. Bonds2

About [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol

[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol (PubChem CID 18729534) has the molecular formula C18H12BrFN2O and a molecular weight of 371.21 g/mol. Its IUPAC name is [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol
PubChem CID18729534
Molecular FormulaC18H12BrFN2O
Molecular Weight371.21 g/mol
Exact Mass370.01
IUPAC Name[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12
InChIInChI=1S/C18H12BrFN2O/c19-11-4-5-16-13(7-11)14(8-21-16)17-6-10(9-23)12-2-1-3-15(20)18(12)22-17/h1-8,21,23H,9H2
InChIKeyAGBLINKOXROIMZ-UHFFFAOYSA-N
XLogP4.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol with MolForge

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Related Compounds

[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperidin-4-ol
CID 30982708
4-(4-Fluorophenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
CID 44438204
(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 51351556
(5-bromo-1H-indol-3-yl)methanol
CID 4272891
(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine
CID 136934837
(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]indol-3-imine
CID 136934840
5-bromo-3-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)-1H-indole
CID 164619598
Eudistomin Y13
CID 70690409
(2-(5-Bromo-1h-indol-3-yl)-7-chloroquinolin-4-yl)methanol
CID 18729524
rel-3-[(3aR,4R,9bR)-4-(5-Bromo-1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-8-yl]-2-propyn-1-ol
CID 44275432
1-(5-bromo-1H-indol-3-yl)ethan-1-ol
CID 18965686

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol?
The IUPAC name of [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol (CID 18729534) is [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol.
What is the SMILES notation for [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol?
The canonical SMILES for [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol is OCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12.
What is the InChIKey of [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol?
The InChIKey is AGBLINKOXROIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O/c19-11-4-5-16-13(7-11)14(8-21-16)17-6-10(9-23)12-2-1-3-15(20)18(12)22-17/h1-8,21,23H,9H2.
What are the key properties of [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol?
[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol has a molecular weight of 371.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol is sourced from PubChem (CID 18729534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).