5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H24N2O2 — CID 103779470

IUPAC5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(NC1CCCc2[nH]c(=O)ccc21)C1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-11(12-7-9-20-10-8-12)17-14-3-2-4-15-13(14)5-6-16(19)18-15/h5-6,11-12,14,17H,2-4,7-10H2,1H3,(H,18,19)
InChIKeyZWURORLIDYWCMM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds3

About 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103779470) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103779470
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(NC1CCCc2[nH]c(=O)ccc21)C1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-11(12-7-9-20-10-8-12)17-14-3-2-4-15-13(14)5-6-16(19)18-15/h5-6,11-12,14,17H,2-4,7-10H2,1H3,(H,18,19)
InChIKeyZWURORLIDYWCMM-UHFFFAOYSA-N
XLogP2.16
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103779470) is 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(NC1CCCc2[nH]c(=O)ccc21)C1CCOCC1.
What is the InChIKey of 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZWURORLIDYWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-7-9-20-10-8-12)17-14-3-2-4-15-13(14)5-6-16(19)18-15/h5-6,11-12,14,17H,2-4,7-10H2,1H3,(H,18,19).
What are the key properties of 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103779470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).