2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene

C28H31NO — CID 159124512

IUPAC2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
SMILESCC(C)(C)C(=O)c1cnc2ccccc2c1.CC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO.C14H16/c1-14(2,3)13(16)11-8-10-6-4-5-7-12(10)15-9-11;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h4-9H,1-3H3;3-8,10-11H,9H2,1-2H3
InChIKeyKGCQHPPYSWMTIS-UHFFFAOYSA-N
MW397.56 g/mol
LogP7.50
Rot. Bonds3

About 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene

2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene (PubChem CID 159124512) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene.

Molecular Properties

Compound Name2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
PubChem CID159124512
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
SMILESCC(C)(C)C(=O)c1cnc2ccccc2c1.CC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO.C14H16/c1-14(2,3)13(16)11-8-10-6-4-5-7-12(10)15-9-11;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h4-9H,1-3H3;3-8,10-11H,9H2,1-2H3
InChIKeyKGCQHPPYSWMTIS-UHFFFAOYSA-N
XLogP7.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)quinoline
CID 12072851
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
2-methyl-3-oxo-3-phenylpropanoic acid;6-(2-methylpropyl)quinoline
CID 70351332
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
CID 159258781
2,2-dimethyl-1-quinolin-3-ylpropane-1-thione
CID 134309815
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
quinoline-3-carboxamide;hydrofluoride
CID 174911514
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene?
The IUPAC name of 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene (CID 159124512) is 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene.
What is the SMILES notation for 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene?
The canonical SMILES for 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene is CC(C)(C)C(=O)c1cnc2ccccc2c1.CC(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene?
The InChIKey is KGCQHPPYSWMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C14H16/c1-14(2,3)13(16)11-8-10-6-4-5-7-12(10)15-9-11;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h4-9H,1-3H3;3-8,10-11H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene?
2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene has a molecular weight of 397.56 g/mol, XLogP of 7.50, 3 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-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene is sourced from PubChem (CID 159124512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).