4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one

C16H19NO — CID 55175549

IUPAC4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one
SMILESCC(=O)C(c1nc2ccccc2cc1C)C(C)C
InChIInChI=1S/C16H19NO/c1-10(2)15(12(4)18)16-11(3)9-13-7-5-6-8-14(13)17-16/h5-10,15H,1-4H3
InChIKeyVNRRVRJRMHFXJG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.87
Rot. Bonds3

About 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one

4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one (PubChem CID 55175549) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one
PubChem CID55175549
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one
SMILESCC(=O)C(c1nc2ccccc2cc1C)C(C)C
InChIInChI=1S/C16H19NO/c1-10(2)15(12(4)18)16-11(3)9-13-7-5-6-8-14(13)17-16/h5-10,15H,1-4H3
InChIKeyVNRRVRJRMHFXJG-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one?
The IUPAC name of 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one (CID 55175549) is 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one?
The canonical SMILES for 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one is CC(=O)C(c1nc2ccccc2cc1C)C(C)C.
What is the InChIKey of 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one?
The InChIKey is VNRRVRJRMHFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10(2)15(12(4)18)16-11(3)9-13-7-5-6-8-14(13)17-16/h5-10,15H,1-4H3.
What are the key properties of 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one?
4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one is sourced from PubChem (CID 55175549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).