2-amino-1-(2-methoxyquinolin-3-yl)ethanone

C12H12N2O2 — CID 90036655

IUPAC2-amino-1-(2-methoxyquinolin-3-yl)ethanone
SMILESCOc1nc2ccccc2cc1C(=O)CN
InChIInChI=1S/C12H12N2O2/c1-16-12-9(11(15)7-13)6-8-4-2-3-5-10(8)14-12/h2-6H,7,13H2,1H3
InChIKeyZTTSYPCXBWWRBO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-1-(2-methoxyquinolin-3-yl)ethanone

2-amino-1-(2-methoxyquinolin-3-yl)ethanone (PubChem CID 90036655) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-1-(2-methoxyquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-methoxyquinolin-3-yl)ethanone
PubChem CID90036655
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-amino-1-(2-methoxyquinolin-3-yl)ethanone
SMILESCOc1nc2ccccc2cc1C(=O)CN
InChIInChI=1S/C12H12N2O2/c1-16-12-9(11(15)7-13)6-8-4-2-3-5-10(8)14-12/h2-6H,7,13H2,1H3
InChIKeyZTTSYPCXBWWRBO-UHFFFAOYSA-N
XLogP1.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxyquinolin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(2-methoxyquinolin-3-yl)ethanone (CID 90036655) is 2-amino-1-(2-methoxyquinolin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-methoxyquinolin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-methoxyquinolin-3-yl)ethanone is COc1nc2ccccc2cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-methoxyquinolin-3-yl)ethanone?
The InChIKey is ZTTSYPCXBWWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12-9(11(15)7-13)6-8-4-2-3-5-10(8)14-12/h2-6H,7,13H2,1H3.
What are the key properties of 2-amino-1-(2-methoxyquinolin-3-yl)ethanone?
2-amino-1-(2-methoxyquinolin-3-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxyquinolin-3-yl)ethanone is sourced from PubChem (CID 90036655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).