2,2-dimethyl-1-quinolin-5-ylpropan-1-one

C14H15NO — CID 81220250

IUPAC2,2-dimethyl-1-quinolin-5-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO/c1-14(2,3)13(16)11-6-4-8-12-10(11)7-5-9-15-12/h4-9H,1-3H3
InChIKeyIBNBGMKMQGCSFM-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.46
Rot. Bonds1

About 2,2-dimethyl-1-quinolin-5-ylpropan-1-one

2,2-dimethyl-1-quinolin-5-ylpropan-1-one (PubChem CID 81220250) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-quinolin-5-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-quinolin-5-ylpropan-1-one
PubChem CID81220250
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,2-dimethyl-1-quinolin-5-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO/c1-14(2,3)13(16)11-6-4-8-12-10(11)7-5-9-15-12/h4-9H,1-3H3
InChIKeyIBNBGMKMQGCSFM-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-quinolin-5-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-quinolin-5-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-quinolin-5-ylpropan-1-one (CID 81220250) is 2,2-dimethyl-1-quinolin-5-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-quinolin-5-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-quinolin-5-ylpropan-1-one is CC(C)(C)C(=O)c1cccc2ncccc12.
What is the InChIKey of 2,2-dimethyl-1-quinolin-5-ylpropan-1-one?
The InChIKey is IBNBGMKMQGCSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2,3)13(16)11-6-4-8-12-10(11)7-5-9-15-12/h4-9H,1-3H3.
What are the key properties of 2,2-dimethyl-1-quinolin-5-ylpropan-1-one?
2,2-dimethyl-1-quinolin-5-ylpropan-1-one has a molecular weight of 213.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-quinolin-5-ylpropan-1-one is sourced from PubChem (CID 81220250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).