4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one

C13H16N2O2 — CID 665199

IUPAC4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNCCCO)c2ccccc2[nH]1
InChIInChI=1S/C13H16N2O2/c16-7-3-6-14-9-10-8-13(17)15-12-5-2-1-4-11(10)12/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17)
InChIKeyJTYAUFOGOOURMU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.00
Rot. Bonds5

About 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one

4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one (PubChem CID 665199) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
PubChem CID665199
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNCCCO)c2ccccc2[nH]1
InChIInChI=1S/C13H16N2O2/c16-7-3-6-14-9-10-8-13(17)15-12-5-2-1-4-11(10)12/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17)
InChIKeyJTYAUFOGOOURMU-UHFFFAOYSA-N
XLogP1.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
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 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one (CID 665199) is 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one is O=c1cc(CNCCCO)c2ccccc2[nH]1.
What is the InChIKey of 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is JTYAUFOGOOURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-7-3-6-14-9-10-8-13(17)15-12-5-2-1-4-11(10)12/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17).
What are the key properties of 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 665199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).