1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one

C15H21NO — CID 3052514

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-7-12(2)15(17)16-11-6-9-13-8-4-5-10-14(13)16/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3
InChIKeyXCSNHDQPYFGISL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one (PubChem CID 3052514) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
PubChem CID3052514
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-7-12(2)15(17)16-11-6-9-13-8-4-5-10-14(13)16/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3
InChIKeyXCSNHDQPYFGISL-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one (CID 3052514) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The InChIKey is XCSNHDQPYFGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-7-12(2)15(17)16-11-6-9-13-8-4-5-10-14(13)16/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 3052514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).