8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one

C21H24N2O3 — CID 141465526

IUPAC8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)(Cc1ccccc1)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C21H24N2O3/c1-21(2,12-14-6-4-3-5-7-14)23-17(13-24)15-8-10-18(25)20-16(15)9-11-19(26)22-20/h3-11,17,23-25H,12-13H2,1-2H3,(H,22,26)
InChIKeyIWFKBGORXVKRTD-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.88
Rot. Bonds6

About 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one

8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one (PubChem CID 141465526) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one
PubChem CID141465526
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one
SMILESCC(C)(Cc1ccccc1)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C21H24N2O3/c1-21(2,12-14-6-4-3-5-7-14)23-17(13-24)15-8-10-18(25)20-16(15)9-11-19(26)22-20/h3-11,17,23-25H,12-13H2,1-2H3,(H,22,26)
InChIKeyIWFKBGORXVKRTD-UHFFFAOYSA-N
XLogP2.88
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.88
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-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one (CID 141465526) is 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one is CC(C)(Cc1ccccc1)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one?
The InChIKey is IWFKBGORXVKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,12-14-6-4-3-5-7-14)23-17(13-24)15-8-10-18(25)20-16(15)9-11-19(26)22-20/h3-11,17,23-25H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[2-hydroxy-1-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.88, 6 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-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 141465526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).