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Procaterol

C16H22N2O3 — CID 688563

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Procaterol

Procaterol (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 NameProcaterol
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

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Related Compounds

Indacaterol
CID 6918554
Abediterol
CID 11962616
Procaterol free base
CID 688561
8-hydroxy-5-(1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1H)-one hydrochloride
CID 656601
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 Procaterol?
The IUPAC name of Procaterol (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 Procaterol?
The canonical SMILES for Procaterol is CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of Procaterol?
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 Procaterol?
Procaterol 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 Procaterol is sourced from PubChem (CID 688563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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