8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one

C13H16N2O2 — CID 122180534

IUPAC8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one
SMILESCOCCNc1cccc2cc(C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O2/c1-9-8-10-4-3-5-11(14-6-7-17-2)12(10)15-13(9)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyASQNPZYRFLUGDZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.89
Rot. Bonds4

About 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one

8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one (PubChem CID 122180534) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one
PubChem CID122180534
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one
SMILESCOCCNc1cccc2cc(C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O2/c1-9-8-10-4-3-5-11(14-6-7-17-2)12(10)15-13(9)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyASQNPZYRFLUGDZ-UHFFFAOYSA-N
XLogP1.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one?
The IUPAC name of 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one (CID 122180534) is 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one is COCCNc1cccc2cc(C)c(=O)[nH]c12.
What is the InChIKey of 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one?
The InChIKey is ASQNPZYRFLUGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-8-10-4-3-5-11(14-6-7-17-2)12(10)15-13(9)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one?
8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylamino)-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 122180534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).