2-methyl-3-propyl-1H-quinolin-4-one

C13H15NO — CID 826058

IUPAC2-methyl-3-propyl-1H-quinolin-4-one
SMILESCCCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C13H15NO/c1-3-6-10-9(2)14-12-8-5-4-7-11(12)13(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyQQVOUEGGEOFBOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-3-propyl-1H-quinolin-4-one

2-methyl-3-propyl-1H-quinolin-4-one (PubChem CID 826058) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-3-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-propyl-1H-quinolin-4-one
PubChem CID826058
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-methyl-3-propyl-1H-quinolin-4-one
SMILESCCCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C13H15NO/c1-3-6-10-9(2)14-12-8-5-4-7-11(12)13(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyQQVOUEGGEOFBOX-UHFFFAOYSA-N
XLogP2.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
CID 89302916
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704
3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 728820
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
butane;2,3-dimethyl-1H-indole
CID 143059445
3-[4-(2-methyl-4-oxo-1H-quinolin-3-yl)butan-2-ylamino]propanoic acid
CID 122572631
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
CID 99977936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-propyl-1H-quinolin-4-one (CID 826058) is 2-methyl-3-propyl-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-propyl-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-propyl-1H-quinolin-4-one is CCCc1c(C)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-propyl-1H-quinolin-4-one?
The InChIKey is QQVOUEGGEOFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-6-10-9(2)14-12-8-5-4-7-11(12)13(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-propyl-1H-quinolin-4-one?
2-methyl-3-propyl-1H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-1H-quinolin-4-one is sourced from PubChem (CID 826058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).