8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

C16H22N2O3 — CID 688563

💊View drug profile → procaterol
IUPAC8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
SMILESCC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m1/s1
InChIKeyFKNXQNWAXFXVNW-WBMJQRKESA-N
MW290.36 g/mol
LogP2.04
Rot. Bonds5

About 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one (PubChem CID 688563) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
PubChem CID688563
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
SMILESCC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m1/s1
InChIKeyFKNXQNWAXFXVNW-WBMJQRKESA-N
XLogP2.04
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one with MolForge

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Related Compounds

Indacaterol
CID 6918554
Abediterol
CID 11962616
Carmoterol
CID 63952
Indacaterol maleate
CID 9827599
Procaterol free base
CID 688561
TA-2005
CID 63951
Procaterol Hydrochloride
CID 16219912
8-hydroxy-5-(1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1H)-one hydrochloride
CID 656601
(R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)nonyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 9874175
(R)-1-(8-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)octyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 9986442
Biphenyl-2-ylcarbamic acid 1-[9-[[(R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl Ester
CID 10326800
(R)-1-(7-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)heptyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 10438748

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one (CID 688563) is 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The InChIKey is FKNXQNWAXFXVNW-WBMJQRKESA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m1/s1.
What are the key properties of 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is sourced from PubChem (CID 688563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).