3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one

C24H27N3O2 — CID 135401162

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one
SMILESO=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
InChIInChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)
InChIKeyUQBAAIYCOXDDQQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.56
Rot. Bonds5

About 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one

3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one (PubChem CID 135401162) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one
PubChem CID135401162
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one
SMILESO=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
InChIInChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)
InChIKeyUQBAAIYCOXDDQQ-UHFFFAOYSA-N
XLogP4.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one (CID 135401162) is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one is O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one?
The InChIKey is UQBAAIYCOXDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28).
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one?
3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one has a molecular weight of 389.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydro-5H-[1,2]oxazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 135401162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).