6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C16H22N2O2 — CID 63106866

IUPAC6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C3CCCOC3)ccc21
InChIInChI=1S/C16H22N2O2/c1-18-14-6-4-12(9-11(14)5-7-15(18)19)16(17)13-3-2-8-20-10-13/h4,6,9,13,16H,2-3,5,7-8,10,17H2,1H3
InChIKeyZYYMMVNWIJSDRO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.02
Rot. Bonds2

About 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63106866) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63106866
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C3CCCOC3)ccc21
InChIInChI=1S/C16H22N2O2/c1-18-14-6-4-12(9-11(14)5-7-15(18)19)16(17)13-3-2-8-20-10-13/h4,6,9,13,16H,2-3,5,7-8,10,17H2,1H3
InChIKeyZYYMMVNWIJSDRO-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116935319
5-[chloro(oxan-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 63014917
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
(2S)-2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]-2-[(3R)-oxan-3-yl]acetic acid
CID 129467688
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 61277900
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542

Frequently Asked Questions

What is the IUPAC name of 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 63106866) is 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)C3CCCOC3)ccc21.
What is the InChIKey of 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZYYMMVNWIJSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-14-6-4-12(9-11(14)5-7-15(18)19)16(17)13-3-2-8-20-10-13/h4,6,9,13,16H,2-3,5,7-8,10,17H2,1H3.
What are the key properties of 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63106866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).