3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one

C15H20N2O — CID 116985074

IUPAC3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CC(C)(C)CN)cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-15(2,10-16)9-12-8-11-6-4-5-7-13(11)17(3)14(12)18/h4-8H,9-10,16H2,1-3H3
InChIKeyGLTUXRHONWARTA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.07
Rot. Bonds3

About 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one

3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one (PubChem CID 116985074) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
PubChem CID116985074
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CC(C)(C)CN)cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-15(2,10-16)9-12-8-11-6-4-5-7-13(11)17(3)14(12)18/h4-8H,9-10,16H2,1-3H3
InChIKeyGLTUXRHONWARTA-UHFFFAOYSA-N
XLogP2.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
CID 84626143
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-amino-1-methylquinolin-2-one
CID 19417653
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
3-iodo-1-methylquinolin-2-one
CID 15733001
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
CID 101403240
1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
CID 91844338
1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
CID 126819953

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one?
The IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one (CID 116985074) is 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one is Cn1c(=O)c(CC(C)(C)CN)cc2ccccc21.
What is the InChIKey of 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one?
The InChIKey is GLTUXRHONWARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,10-16)9-12-8-11-6-4-5-7-13(11)17(3)14(12)18/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one?
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one is sourced from PubChem (CID 116985074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).