4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one

C15H17NO2 — CID 105131611

IUPAC4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
SMILESCOCCC(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11(8-10-18-2)15(17)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyAVSWGYLMOLHIDR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds5

About 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one

4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one (PubChem CID 105131611) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
PubChem CID105131611
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
SMILESCOCCC(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11(8-10-18-2)15(17)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyAVSWGYLMOLHIDR-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613237
2-ethenoxyethyl quinoline-4-carboxylate
CID 75521590

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one?
The IUPAC name of 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one (CID 105131611) is 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one is COCCC(C)C(=O)c1ccnc2ccccc12.
What is the InChIKey of 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one?
The InChIKey is AVSWGYLMOLHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(8-10-18-2)15(17)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one?
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one is sourced from PubChem (CID 105131611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).