4-amino-3-methyl-1-quinolin-2-ylbutan-2-one

C14H16N2O — CID 116564666

IUPAC4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-10(9-15)14(17)8-12-7-6-11-4-2-3-5-13(11)16-12/h2-7,10H,8-9,15H2,1H3
InChIKeyJHVZAKRDBBOLTD-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.94
Rot. Bonds4

About 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one

4-amino-3-methyl-1-quinolin-2-ylbutan-2-one (PubChem CID 116564666) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
PubChem CID116564666
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-10(9-15)14(17)8-12-7-6-11-4-2-3-5-13(11)16-12/h2-7,10H,8-9,15H2,1H3
InChIKeyJHVZAKRDBBOLTD-UHFFFAOYSA-N
XLogP1.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
CID 116564413
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
1-quinolin-2-ylpentan-2-one
CID 28935199
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
1,2-di(quinolin-2-yl)ethanone
CID 24973307
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
1-quinolin-2-ylbut-3-en-2-one
CID 103453640

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one?
The IUPAC name of 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one (CID 116564666) is 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one is CC(CN)C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one?
The InChIKey is JHVZAKRDBBOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(9-15)14(17)8-12-7-6-11-4-2-3-5-13(11)16-12/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one?
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one has a molecular weight of 228.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 116564666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).