1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane

C16H24N2O — CID 143796373

IUPAC1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane
SMILESCC.Cc1nn(CC(C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C14H18N2O.C2H6/c1-10-13(17)11-7-5-6-8-12(11)16(15-10)9-14(2,3)4;1-2/h5-8H,9H2,1-4H3;1-2H3
InChIKeyZNIIEBVFZANPDZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.78
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane

1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane (PubChem CID 143796373) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane
PubChem CID143796373
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane
SMILESCC.Cc1nn(CC(C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C14H18N2O.C2H6/c1-10-13(17)11-7-5-6-8-12(11)16(15-10)9-14(2,3)4;1-2/h5-8H,9H2,1-4H3;1-2H3
InChIKeyZNIIEBVFZANPDZ-UHFFFAOYSA-N
XLogP3.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-quinolone
CID 6748
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
2.2'-Bis-dimethylaminobenzophenon
CID 658530
1-Methyl-2-[(Z)-7-tridecenyl]-4(1H)-quinolone
CID 5319779
3-[(Butylmethylamino)methyl]-2-methylquinolin-4-ol
CID 1560369
1-Benzylquinolin-4(1H)-one
CID 13249183
1-methyl-2-[(Z)-4-tridecenyl]-4(1H)-quinolone
CID 53325916
Schinifoline
CID 133504
1,2-Dimethylquinolin-4(1H)-one
CID 316973
Evocarpine
CID 5317303
1-methyl-2-undecyl-4(1H)-quinolone
CID 5319811

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane (CID 143796373) is 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane is CC.Cc1nn(CC(C)(C)C)c2ccccc2c1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane?
The InChIKey is ZNIIEBVFZANPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-10-13(17)11-7-5-6-8-12(11)16(15-10)9-14(2,3)4;1-2/h5-8H,9H2,1-4H3;1-2H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane?
1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane has a molecular weight of 260.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methylcinnolin-4-one;ethane is sourced from PubChem (CID 143796373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).