2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one

C16H20N2O — CID 81220123

IUPAC2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)C(C)(C)N(C)C)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10H,1-5H3
InChIKeyLGDISMFQDPUDGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds3

About 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one

2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one (PubChem CID 81220123) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
PubChem CID81220123
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)C(C)(C)N(C)C)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10H,1-5H3
InChIKeyLGDISMFQDPUDGI-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one (CID 81220123) is 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one is Cc1ccc2cc(C(=O)C(C)(C)N(C)C)ccc2n1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one?
The InChIKey is LGDISMFQDPUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one?
2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one is sourced from PubChem (CID 81220123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).