8-methoxy-2-propan-2-yl-1H-quinolin-4-one

C13H15NO2 — CID 43667995

IUPAC8-methoxy-2-propan-2-yl-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)cc(C(C)C)[nH]c12
InChIInChI=1S/C13H15NO2/c1-8(2)10-7-11(15)9-5-4-6-12(16-3)13(9)14-10/h4-8H,1-3H3,(H,14,15)
InChIKeyWRSQFSLANTUZRO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.66
Rot. Bonds2

About 8-methoxy-2-propan-2-yl-1H-quinolin-4-one

8-methoxy-2-propan-2-yl-1H-quinolin-4-one (PubChem CID 43667995) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 8-methoxy-2-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-propan-2-yl-1H-quinolin-4-one
PubChem CID43667995
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name8-methoxy-2-propan-2-yl-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)cc(C(C)C)[nH]c12
InChIInChI=1S/C13H15NO2/c1-8(2)10-7-11(15)9-5-4-6-12(16-3)13(9)14-10/h4-8H,1-3H3,(H,14,15)
InChIKeyWRSQFSLANTUZRO-UHFFFAOYSA-N
XLogP2.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
2-tert-butyl-8-methoxy-1H-quinolin-4-one
CID 10799531
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 19926889
7-chloro-4-methoxy-2-propan-2-yl-1H-indole
CID 83642855
7-bromo-4-methoxy-2-propan-2-yl-1H-indole
CID 174995536
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
2-methyl-8-phenoxy-1H-quinolin-4-one
CID 43668334

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-2-propan-2-yl-1H-quinolin-4-one (CID 43667995) is 8-methoxy-2-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-2-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-2-propan-2-yl-1H-quinolin-4-one is COc1cccc2c(=O)cc(C(C)C)[nH]c12.
What is the InChIKey of 8-methoxy-2-propan-2-yl-1H-quinolin-4-one?
The InChIKey is WRSQFSLANTUZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)10-7-11(15)9-5-4-6-12(16-3)13(9)14-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of 8-methoxy-2-propan-2-yl-1H-quinolin-4-one?
8-methoxy-2-propan-2-yl-1H-quinolin-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 43667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).