5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one

C12H14N2O2 — CID 19850147

IUPAC5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCN)c2ccc(=O)[nH]c12
InChIInChI=1S/C12H14N2O2/c1-16-10-4-2-8(6-7-13)9-3-5-11(15)14-12(9)10/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyMELLPOIURPSATM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.04
Rot. Bonds3

About 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one

5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one (PubChem CID 19850147) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one
PubChem CID19850147
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCN)c2ccc(=O)[nH]c12
InChIInChI=1S/C12H14N2O2/c1-16-10-4-2-8(6-7-13)9-3-5-11(15)14-12(9)10/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyMELLPOIURPSATM-UHFFFAOYSA-N
XLogP1.04
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one?
The IUPAC name of 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one (CID 19850147) is 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one is COc1ccc(CCN)c2ccc(=O)[nH]c12.
What is the InChIKey of 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one?
The InChIKey is MELLPOIURPSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-4-2-8(6-7-13)9-3-5-11(15)14-12(9)10/h2-5H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one?
5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 19850147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).