8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one

C14H18N2O3 — CID 135799865

IUPAC8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one
SMILESCC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H18N2O3/c1-8(2)15-11(7-17)9-3-5-12(18)14-10(9)4-6-13(19)16-14/h3-6,8,11,15,17-18H,7H2,1-2H3,(H,16,19)
InChIKeyDLCLAAANHRZNOP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds4

About 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one (PubChem CID 135799865) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one
PubChem CID135799865
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one
SMILESCC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H18N2O3/c1-8(2)15-11(7-17)9-3-5-12(18)14-10(9)4-6-13(19)16-14/h3-6,8,11,15,17-18H,7H2,1-2H3,(H,16,19)
InChIKeyDLCLAAANHRZNOP-UHFFFAOYSA-N
XLogP1.27
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one (CID 135799865) is 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one is CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is DLCLAAANHRZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)15-11(7-17)9-3-5-12(18)14-10(9)4-6-13(19)16-14/h3-6,8,11,15,17-18H,7H2,1-2H3,(H,16,19).
What are the key properties of 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 135799865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).