[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol

C18H12BrIN2O — CID 18729517

IUPAC[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccc(I)cc12
InChIInChI=1S/C18H12BrIN2O/c19-11-1-3-16-14(6-11)15(8-21-16)18-5-10(9-23)13-7-12(20)2-4-17(13)22-18/h1-8,21,23H,9H2
InChIKeyCDQBUCLLGXOANB-UHFFFAOYSA-N
MW479.12 g/mol
LogP5.24
Rot. Bonds2

About [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol

[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol (PubChem CID 18729517) has the molecular formula C18H12BrIN2O and a molecular weight of 479.12 g/mol. Its IUPAC name is [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol
PubChem CID18729517
Molecular FormulaC18H12BrIN2O
Molecular Weight479.12 g/mol
Exact Mass477.92
IUPAC Name[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccc(I)cc12
InChIInChI=1S/C18H12BrIN2O/c19-11-1-3-16-14(6-11)15(8-21-16)18-5-10(9-23)13-7-12(20)2-4-17(13)22-18/h1-8,21,23H,9H2
InChIKeyCDQBUCLLGXOANB-UHFFFAOYSA-N
XLogP5.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.12
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-iodoquinoline-4-carboxamide
CID 18729807
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-iodoquinoline-4-carboxamide
CID 18729811
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729975
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
[4-[(E)-2-[7-bromo-2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]ethenyl]phenyl]methanamine
CID 18729646
N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxamide
CID 18729915
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
CID 18729636
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol?
The IUPAC name of [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol (CID 18729517) is [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol.
What is the SMILES notation for [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol?
The canonical SMILES for [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol is OCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccc(I)cc12.
What is the InChIKey of [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol?
The InChIKey is CDQBUCLLGXOANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrIN2O/c19-11-1-3-16-14(6-11)15(8-21-16)18-5-10(9-23)13-7-12(20)2-4-17(13)22-18/h1-8,21,23H,9H2.
What are the key properties of [2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol?
[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol has a molecular weight of 479.12 g/mol, XLogP of 5.24, 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)-6-iodoquinolin-4-yl]methanol is sourced from PubChem (CID 18729517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).