ethane;3-methyl-1-propan-2-ylcinnolin-4-one

C14H20N2O — CID 143796360

IUPACethane;3-methyl-1-propan-2-ylcinnolin-4-one
SMILESCC.Cc1nn(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C12H14N2O.C2H6/c1-8(2)14-11-7-5-4-6-10(11)12(15)9(3)13-14;1-2/h4-8H,1-3H3;1-2H3
InChIKeyYUPCJWWHROBGNR-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.31
Rot. Bonds1

About ethane;3-methyl-1-propan-2-ylcinnolin-4-one

ethane;3-methyl-1-propan-2-ylcinnolin-4-one (PubChem CID 143796360) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;3-methyl-1-propan-2-ylcinnolin-4-one.

Molecular Properties

Compound Nameethane;3-methyl-1-propan-2-ylcinnolin-4-one
PubChem CID143796360
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;3-methyl-1-propan-2-ylcinnolin-4-one
SMILESCC.Cc1nn(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C12H14N2O.C2H6/c1-8(2)14-11-7-5-4-6-10(11)12(15)9(3)13-14;1-2/h4-8H,1-3H3;1-2H3
InChIKeyYUPCJWWHROBGNR-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-quinolone
CID 6748
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
1-Methyl-2-[(Z)-7-tridecenyl]-4(1H)-quinolone
CID 5319779
3-[(Butylmethylamino)methyl]-2-methylquinolin-4-ol
CID 1560369
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
Dihydroevocarpine
CID 5322031
Leptomerine
CID 10856530
4(1H)-Quinolone, 1-vinyl-
CID 3054473

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propan-2-ylcinnolin-4-one?
The IUPAC name of ethane;3-methyl-1-propan-2-ylcinnolin-4-one (CID 143796360) is ethane;3-methyl-1-propan-2-ylcinnolin-4-one.
What is the SMILES notation for ethane;3-methyl-1-propan-2-ylcinnolin-4-one?
The canonical SMILES for ethane;3-methyl-1-propan-2-ylcinnolin-4-one is CC.Cc1nn(C(C)C)c2ccccc2c1=O.
What is the InChIKey of ethane;3-methyl-1-propan-2-ylcinnolin-4-one?
The InChIKey is YUPCJWWHROBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-8(2)14-11-7-5-4-6-10(11)12(15)9(3)13-14;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propan-2-ylcinnolin-4-one?
ethane;3-methyl-1-propan-2-ylcinnolin-4-one has a molecular weight of 232.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propan-2-ylcinnolin-4-one is sourced from PubChem (CID 143796360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).