2,2-dimethyl-1-quinolin-4-ylpropan-1-one

C14H15NO — CID 12913278

IUPAC2,2-dimethyl-1-quinolin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO/c1-14(2,3)13(16)11-8-9-15-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyPQUPOCXHFXVCNF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.46
Rot. Bonds1

About 2,2-dimethyl-1-quinolin-4-ylpropan-1-one

2,2-dimethyl-1-quinolin-4-ylpropan-1-one (PubChem CID 12913278) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-quinolin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-quinolin-4-ylpropan-1-one
PubChem CID12913278
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,2-dimethyl-1-quinolin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO/c1-14(2,3)13(16)11-8-9-15-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyPQUPOCXHFXVCNF-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

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Related Compounds

2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
quinoline-4-carbonyl cyanide
CID 119091066
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
1-quinolin-4-yldecan-1-one
CID 105086389
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-quinolin-4-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-quinolin-4-ylpropan-1-one (CID 12913278) is 2,2-dimethyl-1-quinolin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-quinolin-4-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-quinolin-4-ylpropan-1-one is CC(C)(C)C(=O)c1ccnc2ccccc12.
What is the InChIKey of 2,2-dimethyl-1-quinolin-4-ylpropan-1-one?
The InChIKey is PQUPOCXHFXVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2,3)13(16)11-8-9-15-12-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of 2,2-dimethyl-1-quinolin-4-ylpropan-1-one?
2,2-dimethyl-1-quinolin-4-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-4-ylpropan-1-one is sourced from PubChem (CID 12913278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).