5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

C16H24N2O3 — CID 6604410

IUPAC5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyLWAFSWPYPHEXKX-NSHDSACASA-N
MW292.38 g/mol
LogP1.70
Rot. Bonds5

About 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6604410) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID6604410
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyLWAFSWPYPHEXKX-NSHDSACASA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 23454034
N-(2-hydroxybutyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylpentanamide
CID 44367386
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164040127
7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164619589
7-[3-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164620035
7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164621351
7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164622576
7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164624420
8-Hydroxycarteolol
CID 124688

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 6604410) is 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2.
What is the InChIKey of 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LWAFSWPYPHEXKX-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).