1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C14H19NO2 — CID 110636164

IUPAC1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(O)c2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-3-4-14(17)15-8-7-13(16)11-9-10(2)5-6-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeySNYJOQMEKANYHR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 110636164) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID110636164
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(O)c2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-3-4-14(17)15-8-7-13(16)11-9-10(2)5-6-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeySNYJOQMEKANYHR-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 110636164) is 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCCC(=O)N1CCC(O)c2cc(C)ccc21.
What is the InChIKey of 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is SNYJOQMEKANYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-14(17)15-8-7-13(16)11-9-10(2)5-6-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 110636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).