2-hydroxy-1-quinolin-4-ylpropan-1-one

C12H11NO2 — CID 175106314

IUPAC2-hydroxy-1-quinolin-4-ylpropan-1-one
SMILESCC(O)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)12(15)10-6-7-13-11-5-3-2-4-9(10)11/h2-8,14H,1H3
InChIKeyNVOXVXNRRVSDNW-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.80
Rot. Bonds2

About 2-hydroxy-1-quinolin-4-ylpropan-1-one

2-hydroxy-1-quinolin-4-ylpropan-1-one (PubChem CID 175106314) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-hydroxy-1-quinolin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-quinolin-4-ylpropan-1-one
PubChem CID175106314
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-hydroxy-1-quinolin-4-ylpropan-1-one
SMILESCC(O)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)12(15)10-6-7-13-11-5-3-2-4-9(10)11/h2-8,14H,1H3
InChIKeyNVOXVXNRRVSDNW-UHFFFAOYSA-N
XLogP1.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
quinoline-4-carbonyl cyanide
CID 119091066
N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104555996
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
2-quinolin-4-ylpropanoic acid
CID 127018626
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-quinolin-4-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1-quinolin-4-ylpropan-1-one (CID 175106314) is 2-hydroxy-1-quinolin-4-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-quinolin-4-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-quinolin-4-ylpropan-1-one is CC(O)C(=O)c1ccnc2ccccc12.
What is the InChIKey of 2-hydroxy-1-quinolin-4-ylpropan-1-one?
The InChIKey is NVOXVXNRRVSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)12(15)10-6-7-13-11-5-3-2-4-9(10)11/h2-8,14H,1H3.
What are the key properties of 2-hydroxy-1-quinolin-4-ylpropan-1-one?
2-hydroxy-1-quinolin-4-ylpropan-1-one has a molecular weight of 201.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-quinolin-4-ylpropan-1-one is sourced from PubChem (CID 175106314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).