4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one

C18H21NO2 — CID 54682888

IUPAC4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C18H21NO2/c1-12(2)16-17(20)14-10-6-7-11-15(14)19(18(16)21)13-8-4-3-5-9-13/h3-5,8-9,12,20H,6-7,10-11H2,1-2H3
InChIKeyOBTGYWKIIXKBPO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds2

About 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one

4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 54682888) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID54682888
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C18H21NO2/c1-12(2)16-17(20)14-10-6-7-11-15(14)19(18(16)21)13-8-4-3-5-9-13/h3-5,8-9,12,20H,6-7,10-11H2,1-2H3
InChIKeyOBTGYWKIIXKBPO-UHFFFAOYSA-N
XLogP3.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (CID 54682888) is 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is CC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OBTGYWKIIXKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)16-17(20)14-10-6-7-11-15(14)19(18(16)21)13-8-4-3-5-9-13/h3-5,8-9,12,20H,6-7,10-11H2,1-2H3.
What are the key properties of 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 54682888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).