5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C14H17BrN2O2 — CID 19094714

IUPAC5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(N3CCC(O)CC3)c2Br)N1
InChIInChI=1S/C14H17BrN2O2/c15-14-10-1-4-13(19)16-11(10)2-3-12(14)17-7-5-9(18)6-8-17/h2-3,9,18H,1,4-8H2,(H,16,19)
InChIKeyJVLFHALFDCXZIU-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.29
Rot. Bonds1

About 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19094714) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19094714
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(N3CCC(O)CC3)c2Br)N1
InChIInChI=1S/C14H17BrN2O2/c15-14-10-1-4-13(19)16-11(10)2-3-12(14)17-7-5-9(18)6-8-17/h2-3,9,18H,1,4-8H2,(H,16,19)
InChIKeyJVLFHALFDCXZIU-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 19094714) is 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(N3CCC(O)CC3)c2Br)N1.
What is the InChIKey of 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JVLFHALFDCXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-14-10-1-4-13(19)16-11(10)2-3-12(14)17-7-5-9(18)6-8-17/h2-3,9,18H,1,4-8H2,(H,16,19).
What are the key properties of 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19094714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).