3-methyl-1-(2-methylquinolin-4-yl)butan-1-one

C15H17NO — CID 105077594

IUPAC3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
SMILESCc1cc(C(=O)CC(C)C)c2ccccc2n1
InChIInChI=1S/C15H17NO/c1-10(2)8-15(17)13-9-11(3)16-14-7-5-4-6-12(13)14/h4-7,9-10H,8H2,1-3H3
InChIKeyUHKGCEXUZJXFMA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.77
Rot. Bonds3

About 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one

3-methyl-1-(2-methylquinolin-4-yl)butan-1-one (PubChem CID 105077594) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
PubChem CID105077594
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
SMILESCc1cc(C(=O)CC(C)C)c2ccccc2n1
InChIInChI=1S/C15H17NO/c1-10(2)8-15(17)13-9-11(3)16-14-7-5-4-6-12(13)14/h4-7,9-10H,8H2,1-3H3
InChIKeyUHKGCEXUZJXFMA-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one
CID 70383447
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one (CID 105077594) is 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one is Cc1cc(C(=O)CC(C)C)c2ccccc2n1.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one?
The InChIKey is UHKGCEXUZJXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(2)8-15(17)13-9-11(3)16-14-7-5-4-6-12(13)14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one?
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylquinolin-4-yl)butan-1-one is sourced from PubChem (CID 105077594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).