4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one

C15H18N2O — CID 116596565

IUPAC4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
SMILESCc1ccc2cc(C(=O)CC(C)CN)ccc2n1
InChIInChI=1S/C15H18N2O/c1-10(9-16)7-15(18)13-5-6-14-12(8-13)4-3-11(2)17-14/h3-6,8,10H,7,9,16H2,1-2H3
InChIKeyGZTRWZPVAZDCDU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one

4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one (PubChem CID 116596565) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
PubChem CID116596565
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
SMILESCc1ccc2cc(C(=O)CC(C)CN)ccc2n1
InChIInChI=1S/C15H18N2O/c1-10(9-16)7-15(18)13-5-6-14-12(8-13)4-3-11(2)17-14/h3-6,8,10H,7,9,16H2,1-2H3
InChIKeyGZTRWZPVAZDCDU-UHFFFAOYSA-N
XLogP2.71
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
2,2-dimethoxy-1-(2-methylquinolin-6-yl)ethanone
CID 81220955
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 103458406
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094
2-amino-5-methoxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 116593733
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386
1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
CID 81221087

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one?
The IUPAC name of 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one (CID 116596565) is 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one is Cc1ccc2cc(C(=O)CC(C)CN)ccc2n1.
What is the InChIKey of 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one?
The InChIKey is GZTRWZPVAZDCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(9-16)7-15(18)13-5-6-14-12(8-13)4-3-11(2)17-14/h3-6,8,10H,7,9,16H2,1-2H3.
What are the key properties of 4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one?
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.71, 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-(2-methylquinolin-6-yl)butan-1-one is sourced from PubChem (CID 116596565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).