2-amino-1-(2-methylquinolin-6-yl)propan-1-one

C13H14N2O — CID 116551720

IUPAC2-amino-1-(2-methylquinolin-6-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)C(C)N)ccc2n1
InChIInChI=1S/C13H14N2O/c1-8-3-4-10-7-11(13(16)9(2)14)5-6-12(10)15-8/h3-7,9H,14H2,1-2H3
InChIKeyCECJKBPQWBPTDD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-1-(2-methylquinolin-6-yl)propan-1-one

2-amino-1-(2-methylquinolin-6-yl)propan-1-one (PubChem CID 116551720) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-1-(2-methylquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methylquinolin-6-yl)propan-1-one
PubChem CID116551720
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-1-(2-methylquinolin-6-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)C(C)N)ccc2n1
InChIInChI=1S/C13H14N2O/c1-8-3-4-10-7-11(13(16)9(2)14)5-6-12(10)15-8/h3-7,9H,14H2,1-2H3
InChIKeyCECJKBPQWBPTDD-UHFFFAOYSA-N
XLogP2.07
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylquinolin-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-methylquinolin-6-yl)propan-1-one (CID 116551720) is 2-amino-1-(2-methylquinolin-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-methylquinolin-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-methylquinolin-6-yl)propan-1-one is Cc1ccc2cc(C(=O)C(C)N)ccc2n1.
What is the InChIKey of 2-amino-1-(2-methylquinolin-6-yl)propan-1-one?
The InChIKey is CECJKBPQWBPTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-3-4-10-7-11(13(16)9(2)14)5-6-12(10)15-8/h3-7,9H,14H2,1-2H3.
What are the key properties of 2-amino-1-(2-methylquinolin-6-yl)propan-1-one?
2-amino-1-(2-methylquinolin-6-yl)propan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylquinolin-6-yl)propan-1-one is sourced from PubChem (CID 116551720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).