3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

C9H10BrNO2 — CID 112757220

IUPAC3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(c(O)c1Br)CCCC2
InChIInChI=1S/C9H10BrNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-4H2,(H2,11,12,13)
InChIKeyZDGMJPOETARVET-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.72
Rot. Bonds

About 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 112757220) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID112757220
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(c(O)c1Br)CCCC2
InChIInChI=1S/C9H10BrNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-4H2,(H2,11,12,13)
InChIKeyZDGMJPOETARVET-UHFFFAOYSA-N
XLogP1.72
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 112757220) is 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1[nH]c2c(c(O)c1Br)CCCC2.
What is the InChIKey of 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZDGMJPOETARVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-4H2,(H2,11,12,13).
What are the key properties of 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 244.09 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 112757220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).