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

C16H24N2O2 — CID 103903395

IUPAC5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1(CNC2CCCc3[nH]c(=O)ccc32)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-16(7-9-20-10-8-16)11-17-13-3-2-4-14-12(13)5-6-15(19)18-14/h5-6,13,17H,2-4,7-11H2,1H3,(H,18,19)
InChIKeyHGWACJIAPREVTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds3

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

5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103903395) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103903395
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1(CNC2CCCc3[nH]c(=O)ccc32)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-16(7-9-20-10-8-16)11-17-13-3-2-4-14-12(13)5-6-15(19)18-14/h5-6,13,17H,2-4,7-11H2,1H3,(H,18,19)
InChIKeyHGWACJIAPREVTP-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

Analyze 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 104705788
5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903735
5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108912
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
5-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108282
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578
5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103779470
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103903395) is 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1(CNC2CCCc3[nH]c(=O)ccc32)CCOCC1.
What is the InChIKey of 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HGWACJIAPREVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(7-9-20-10-8-16)11-17-13-3-2-4-14-12(13)5-6-15(19)18-14/h5-6,13,17H,2-4,7-11H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(4-methyloxan-4-yl)methylamino]-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-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103903395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).