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

C16H23NO2 — CID 110636173

IUPAC2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)c2cc(C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12,15,18H,4-5,8-9H2,1-3H3
InChIKeyYZYHCMSSSJCNLR-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.20
Rot. Bonds3

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

2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 110636173) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID110636173
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)c2cc(C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12,15,18H,4-5,8-9H2,1-3H3
InChIKeyYZYHCMSSSJCNLR-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 110636173) is 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCC(O)c2cc(C)ccc21.
What is the InChIKey of 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is YZYHCMSSSJCNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 261.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 110636173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).