(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one

C16H22N2O3 — CID 129384424

IUPAC(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCC1(C)OCC(CN2C(=O)[C@@H](N)Cc3ccccc32)CO1
InChIInChI=1S/C16H22N2O3/c1-16(2)20-9-11(10-21-16)8-18-14-6-4-3-5-12(14)7-13(17)15(18)19/h3-6,11,13H,7-10,17H2,1-2H3/t13-/m0/s1
InChIKeySIKQKGAJEXGAOI-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.30
Rot. Bonds2

About (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 129384424) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID129384424
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCC1(C)OCC(CN2C(=O)[C@@H](N)Cc3ccccc32)CO1
InChIInChI=1S/C16H22N2O3/c1-16(2)20-9-11(10-21-16)8-18-14-6-4-3-5-12(14)7-13(17)15(18)19/h3-6,11,13H,7-10,17H2,1-2H3/t13-/m0/s1
InChIKeySIKQKGAJEXGAOI-ZDUSSCGKSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n-{1-[3-(5-Fluoro-2-oxo-3,4-dihydro-2h-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 44207904
N-{1-[3-(7-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930342
N-{1-[3-(6-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930341
N-cyclohexyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 6623952
(E)-N'-(2-methylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)but-2-enediamide
CID 153522656
US11802131, Example 40
CID 137533615
US11802131, Example 38
CID 137533644
Carbostyril, 3,4-dihydro-1-(2-(dimethylamino)ethyl)-, hydrochloride
CID 18228
Carbostyril, 3,4-dihydro-1-(2-piperidinopropyl)-
CID 18700
3-Amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one hydrochloride
CID 21974608
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
CID 2447263
N-(3-methoxypropyl)-N'-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}ethanediamide
CID 18578032

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one (CID 129384424) is (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one is CC1(C)OCC(CN2C(=O)[C@@H](N)Cc3ccccc32)CO1.
What is the InChIKey of (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SIKQKGAJEXGAOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2)20-9-11(10-21-16)8-18-14-6-4-3-5-12(14)7-13(17)15(18)19/h3-6,11,13H,7-10,17H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 129384424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).