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

C16H19NO — CID 55103254

IUPAC3,3-dimethyl-1-quinolin-2-ylpentan-2-one
SMILESCCC(C)(C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H19NO/c1-4-16(2,3)15(18)11-13-10-9-12-7-5-6-8-14(12)17-13/h5-10H,4,11H2,1-3H3
InChIKeyYZNWZCBOLYZVHP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.78
Rot. Bonds4

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

3,3-dimethyl-1-quinolin-2-ylpentan-2-one (PubChem CID 55103254) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-quinolin-2-ylpentan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-quinolin-2-ylpentan-2-one
PubChem CID55103254
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3,3-dimethyl-1-quinolin-2-ylpentan-2-one
SMILESCCC(C)(C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H19NO/c1-4-16(2,3)15(18)11-13-10-9-12-7-5-6-8-14(12)17-13/h5-10H,4,11H2,1-3H3
InChIKeyYZNWZCBOLYZVHP-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
CID 116558652
1-quinolin-2-ylpentan-2-one
CID 28935199
3,3,4,4-tetrafluoro-1-quinolin-2-ylbutan-2-one
CID 114032456
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
4-ethyl-1-quinolin-2-ylhex-3-en-2-one
CID 103458860
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-quinolin-2-ylpentan-2-one?
The IUPAC name of 3,3-dimethyl-1-quinolin-2-ylpentan-2-one (CID 55103254) is 3,3-dimethyl-1-quinolin-2-ylpentan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-quinolin-2-ylpentan-2-one?
The canonical SMILES for 3,3-dimethyl-1-quinolin-2-ylpentan-2-one is CCC(C)(C)C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 3,3-dimethyl-1-quinolin-2-ylpentan-2-one?
The InChIKey is YZNWZCBOLYZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-16(2,3)15(18)11-13-10-9-12-7-5-6-8-14(12)17-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-quinolin-2-ylpentan-2-one?
3,3-dimethyl-1-quinolin-2-ylpentan-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-quinolin-2-ylpentan-2-one is sourced from PubChem (CID 55103254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).