5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one

C24H40N2O3 — CID 140944942

IUPAC5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)OC(COc1cccc2c1CCC(=O)N2)CN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H40N2O3/c1-22(2,3)26(23(4,5)6)15-17(29-24(7,8)9)16-28-20-12-10-11-19-18(20)13-14-21(27)25-19/h10-12,17H,13-16H2,1-9H3,(H,25,27)
InChIKeyFKYKUXKYCDIVSQ-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.03
Rot. Bonds6

About 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one

5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 140944942) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID140944942
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)OC(COc1cccc2c1CCC(=O)N2)CN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H40N2O3/c1-22(2,3)26(23(4,5)6)15-17(29-24(7,8)9)16-28-20-12-10-11-19-18(20)13-14-21(27)25-19/h10-12,17H,13-16H2,1-9H3,(H,25,27)
InChIKeyFKYKUXKYCDIVSQ-UHFFFAOYSA-N
XLogP5.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
5-[3-(tert-butylamino)-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46780194
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 15677015
ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
CID 12821844
(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
CID 19913805
tris(5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one);tris[2-(4-carboxyphenoxy)ethyl]-methylazanium;chloride
CID 44818067
5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54559605
6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
6-(2-amino-2-hydroxy-5,6-dimethylheptoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531652

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 140944942) is 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)OC(COc1cccc2c1CCC(=O)N2)CN(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FKYKUXKYCDIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-22(2,3)26(23(4,5)6)15-17(29-24(7,8)9)16-28-20-12-10-11-19-18(20)13-14-21(27)25-19/h10-12,17H,13-16H2,1-9H3,(H,25,27).
What are the key properties of 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 404.60 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 140944942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).