5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one

C19H30N2O3 — CID 135213483

IUPAC5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)N1C(=O)CCc2c(OCC(O)CNC(C)(C)C)cccc21
InChIInChI=1S/C19H30N2O3/c1-13(2)21-16-7-6-8-17(15(16)9-10-18(21)23)24-12-14(22)11-20-19(3,4)5/h6-8,13-14,20,22H,9-12H2,1-5H3
InChIKeyFSTITCAXYSCGIM-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.50
Rot. Bonds6

About 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one

5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 135213483) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID135213483
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)N1C(=O)CCc2c(OCC(O)CNC(C)(C)C)cccc21
InChIInChI=1S/C19H30N2O3/c1-13(2)21-16-7-6-8-17(15(16)9-10-18(21)23)24-12-14(22)11-20-19(3,4)5/h6-8,13-14,20,22H,9-12H2,1-5H3
InChIKeyFSTITCAXYSCGIM-UHFFFAOYSA-N
XLogP2.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
(1S,2R)-2-amino-1-phenylpropan-1-ol;5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 134210485
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-8-chloro-3,4-dihydro-2H-naphthalen-1-one
CID 97356828
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-chromen-3-ol
CID 14839765
1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
CID 13332767
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one (CID 135213483) is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one is CC(C)N1C(=O)CCc2c(OCC(O)CNC(C)(C)C)cccc21.
What is the InChIKey of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is FSTITCAXYSCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)21-16-7-6-8-17(15(16)9-10-18(21)23)24-12-14(22)11-20-19(3,4)5/h6-8,13-14,20,22H,9-12H2,1-5H3.
What are the key properties of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 135213483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).