6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one

C13H16N2O2 — CID 118872234

IUPAC6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one
SMILESCOCCCc1cc(=O)[nH]c2ccc(N)cc12
InChIInChI=1S/C13H16N2O2/c1-17-6-2-3-9-7-13(16)15-12-5-4-10(14)8-11(9)12/h4-5,7-8H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyOULNEUSQVOTKLD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.69
Rot. Bonds4

About 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one

6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one (PubChem CID 118872234) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one
PubChem CID118872234
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one
SMILESCOCCCc1cc(=O)[nH]c2ccc(N)cc12
InChIInChI=1S/C13H16N2O2/c1-17-6-2-3-9-7-13(16)15-12-5-4-10(14)8-11(9)12/h4-5,7-8H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyOULNEUSQVOTKLD-UHFFFAOYSA-N
XLogP1.69
TPSA68.11 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one?
The IUPAC name of 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one (CID 118872234) is 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one?
The canonical SMILES for 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one is COCCCc1cc(=O)[nH]c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one?
The InChIKey is OULNEUSQVOTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-6-2-3-9-7-13(16)15-12-5-4-10(14)8-11(9)12/h4-5,7-8H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one?
6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one is sourced from PubChem (CID 118872234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).