5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C15H21N3O3 — CID 10827434

IUPAC5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(CN)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C15H21N3O3/c1-15(2,8-16)17-7-12(20)9-3-5-11(19)14-10(9)4-6-13(21)18-14/h3-6,12,17,19-20H,7-8,16H2,1-2H3,(H,18,21)
InChIKeyDCYUHJFZQGMMCC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds5

About 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 10827434) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID10827434
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(CN)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C15H21N3O3/c1-15(2,8-16)17-7-12(20)9-3-5-11(19)14-10(9)4-6-13(21)18-14/h3-6,12,17,19-20H,7-8,16H2,1-2H3,(H,18,21)
InChIKeyDCYUHJFZQGMMCC-UHFFFAOYSA-N
XLogP0.59
TPSA111.37 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one with MolForge

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Related Compounds

8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131
4-[2-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoic acid
CID 118364118
5-[(1R)-2-[2-[4-[4-(2-amino-2-methylpropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;palladium(2+);dihydroxide
CID 173182660
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]ethyl]-1H-quinolin-2-one
CID 11266679
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
CID 70362996
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 10827434) is 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is CC(C)(CN)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is DCYUHJFZQGMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,8-16)17-7-12(20)9-3-5-11(19)14-10(9)4-6-13(21)18-14/h3-6,12,17,19-20H,7-8,16H2,1-2H3,(H,18,21).
What are the key properties of 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 10827434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).