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

C13H16N2O2 — CID 28715980

IUPAC3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCCO
InChIInChI=1S/C13H16N2O2/c16-7-3-6-14-9-11-8-10-4-1-2-5-12(10)15-13(11)17/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17)
InChIKeyDVBZQKZMIQZGMM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.00
Rot. Bonds5

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

3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one (PubChem CID 28715980) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
PubChem CID28715980
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCCO
InChIInChI=1S/C13H16N2O2/c16-7-3-6-14-9-11-8-10-4-1-2-5-12(10)15-13(11)17/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17)
InChIKeyDVBZQKZMIQZGMM-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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Related Compounds

3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
CID 111498735
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
CID 119136098
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 131903035

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one (CID 28715980) is 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCCCO.
What is the InChIKey of 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is DVBZQKZMIQZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-7-3-6-14-9-11-8-10-4-1-2-5-12(10)15-13(11)17/h1-2,4-5,8,14,16H,3,6-7,9H2,(H,15,17).
What are the key properties of 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one?
3-[(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 3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 28715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).