ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

C17H28N2O3 — CID 143124186

IUPACethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC.CC(C)NCC(O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C15H22N2O3.C2H6/c1-10(2)16-8-11(18)9-20-14-5-3-4-13-12(14)6-7-15(19)17-13;1-2/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19);1-2H3
InChIKeyDGFUVAVAPSCKJG-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.34
Rot. Bonds6

About ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 143124186) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID143124186
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nameethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC.CC(C)NCC(O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C15H22N2O3.C2H6/c1-10(2)16-8-11(18)9-20-14-5-3-4-13-12(14)6-7-15(19)17-13;1-2/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19);1-2H3
InChIKeyDGFUVAVAPSCKJG-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20570364
1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
CID 142138420
tris(5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one);tris[2-(4-carboxyphenoxy)ethyl]-methylazanium;chloride
CID 44818067
methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 15677015
(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 76955833
5-[3-(tert-butylamino)-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46780194
(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 656619

Frequently Asked Questions

What is the IUPAC name of ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 143124186) is ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is CC.CC(C)NCC(O)COc1cccc2c1CCC(=O)N2.
What is the InChIKey of ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DGFUVAVAPSCKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.C2H6/c1-10(2)16-8-11(18)9-20-14-5-3-4-13-12(14)6-7-15(19)17-13;1-2/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19);1-2H3.
What are the key properties of ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 308.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 143124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).