7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one

C12H16N2O2 — CID 68605458

IUPAC7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(cc1N)N(CCO)C(=O)CC2
InChIInChI=1S/C12H16N2O2/c1-8-6-9-2-3-12(16)14(4-5-15)11(9)7-10(8)13/h6-7,15H,2-5,13H2,1H3
InChIKeyUWSYQVLTXVQUDE-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.85
Rot. Bonds2

About 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one

7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one (PubChem CID 68605458) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
PubChem CID68605458
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(cc1N)N(CCO)C(=O)CC2
InChIInChI=1S/C12H16N2O2/c1-8-6-9-2-3-12(16)14(4-5-15)11(9)7-10(8)13/h6-7,15H,2-5,13H2,1H3
InChIKeyUWSYQVLTXVQUDE-UHFFFAOYSA-N
XLogP0.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one (CID 68605458) is 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one is Cc1cc2c(cc1N)N(CCO)C(=O)CC2.
What is the InChIKey of 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is UWSYQVLTXVQUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-9-2-3-12(16)14(4-5-15)11(9)7-10(8)13/h6-7,15H,2-5,13H2,1H3.
What are the key properties of 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one?
7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68605458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).