3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one

C16H19NO2 — CID 103456262

IUPAC3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
SMILESCC(C)(C)C(O)C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H19NO2/c1-16(2,3)15(19)14(18)10-11-8-9-17-13-7-5-4-6-12(11)13/h4-9,15,19H,10H2,1-3H3
InChIKeyYGYRDSSRHYJBIV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.75
Rot. Bonds3

About 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one

3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one (PubChem CID 103456262) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
PubChem CID103456262
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
SMILESCC(C)(C)C(O)C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H19NO2/c1-16(2,3)15(19)14(18)10-11-8-9-17-13-7-5-4-6-12(11)13/h4-9,15,19H,10H2,1-3H3
InChIKeyYGYRDSSRHYJBIV-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-4-ylbutan-2-one
CID 15695851
3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one
CID 116747331
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one?
The IUPAC name of 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one (CID 103456262) is 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one.
What is the SMILES notation for 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one?
The canonical SMILES for 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one is CC(C)(C)C(O)C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one?
The InChIKey is YGYRDSSRHYJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)15(19)14(18)10-11-8-9-17-13-7-5-4-6-12(11)13/h4-9,15,19H,10H2,1-3H3.
What are the key properties of 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one?
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one is sourced from PubChem (CID 103456262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).