6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one

C17H26N2O2 — CID 103074282

IUPAC6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CNC(C)(C)C)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H26N2O2/c1-12(10-18-17(2,3)4)11-21-14-6-7-15-13(9-14)5-8-16(20)19-15/h6-7,9,12,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyVDVXEVDSNDSZEX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.97
Rot. Bonds5

About 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103074282) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID103074282
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CNC(C)(C)C)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H26N2O2/c1-12(10-18-17(2,3)4)11-21-14-6-7-15-13(9-14)5-8-16(20)19-15/h6-7,9,12,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyVDVXEVDSNDSZEX-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-methyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075234
7-[3-(cyclopropylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075237
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63912061
6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 124570235
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-[1-(4-bromophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55528214
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412

Frequently Asked Questions

What is the IUPAC name of 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 103074282) is 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one is CC(CNC(C)(C)C)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VDVXEVDSNDSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(10-18-17(2,3)4)11-21-14-6-7-15-13(9-14)5-8-16(20)19-15/h6-7,9,12,18H,5,8,10-11H2,1-4H3,(H,19,20).
What are the key properties of 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103074282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).