[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol

C18H12BrClN2O — CID 18729524

IUPAC[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/C18H12BrClN2O/c19-11-1-4-16-14(6-11)15(8-21-16)17-5-10(9-23)13-3-2-12(20)7-18(13)22-17/h1-8,21,23H,9H2
InChIKeyHJMWVQQRMUQHSS-UHFFFAOYSA-N
MW387.66 g/mol
LogP5.29
Rot. Bonds2

About [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol

[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol (PubChem CID 18729524) has the molecular formula C18H12BrClN2O and a molecular weight of 387.66 g/mol. Its IUPAC name is [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol
PubChem CID18729524
Molecular FormulaC18H12BrClN2O
Molecular Weight387.66 g/mol
Exact Mass385.98
IUPAC Name[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol
SMILESOCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/C18H12BrClN2O/c19-11-1-4-16-14(6-11)15(8-21-16)17-5-10(9-23)13-3-2-12(20)7-18(13)22-17/h1-8,21,23H,9H2
InChIKeyHJMWVQQRMUQHSS-UHFFFAOYSA-N
XLogP5.29
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.66
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol?
The IUPAC name of [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol (CID 18729524) is [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol.
What is the SMILES notation for [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol?
The canonical SMILES for [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol is OCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12.
What is the InChIKey of [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol?
The InChIKey is HJMWVQQRMUQHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O/c19-11-1-4-16-14(6-11)15(8-21-16)17-5-10(9-23)13-3-2-12(20)7-18(13)22-17/h1-8,21,23H,9H2.
What are the key properties of [2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol?
[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methanol has a molecular weight of 387.66 g/mol, XLogP of 5.29, 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)-7-chloroquinolin-4-yl]methanol is sourced from PubChem (CID 18729524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).