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Carteolol

C16H24N2O3 — CID 2583

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

IUPAC5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NCC(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)
InChIKeyLWAFSWPYPHEXKX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.70
Rot. Bonds5

About Carteolol

Carteolol (PubChem CID 2583) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound NameCarteolol
PubChem CID2583
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NCC(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)
InChIKeyLWAFSWPYPHEXKX-UHFFFAOYSA-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

7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 23454034
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
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
(-)-Carteolol
CID 6604410

Frequently Asked Questions

What is the IUPAC name of Carteolol?
The IUPAC name of Carteolol (CID 2583) is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for Carteolol?
The canonical SMILES for Carteolol is CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.
What is the InChIKey of Carteolol?
The InChIKey is LWAFSWPYPHEXKX-UHFFFAOYSA-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).
What are the key properties of Carteolol?
Carteolol 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 Carteolol is sourced from PubChem (CID 2583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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