6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C16H24N2O3 — CID 114357832

IUPAC6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)C(N)C(CO)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15(17)13(9-19)21-11-5-6-12-10(8-11)4-7-14(20)18-12/h5-6,8,13,15,19H,4,7,9,17H2,1-3H3,(H,18,20)
InChIKeyHMVRXFCRCOGVOF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds4

About 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114357832) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID114357832
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)C(N)C(CO)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15(17)13(9-19)21-11-5-6-12-10(8-11)4-7-14(20)18-12/h5-6,8,13,15,19H,4,7,9,17H2,1-3H3,(H,18,20)
InChIKeyHMVRXFCRCOGVOF-UHFFFAOYSA-N
XLogP1.68
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 114357832) is 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)C(N)C(CO)Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HMVRXFCRCOGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)15(17)13(9-19)21-11-5-6-12-10(8-11)4-7-14(20)18-12/h5-6,8,13,15,19H,4,7,9,17H2,1-3H3,(H,18,20).
What are the key properties of 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114357832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).