8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one

C25H39N3O3 — CID 151406566

IUPAC8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C25H39N3O3/c29-22-13-11-20(21-12-14-24(31)27-25(21)22)23(30)19-26-15-7-4-2-1-3-5-8-16-28-17-9-6-10-18-28/h11-14,23,26,29-30H,1-10,15-19H2,(H,27,31)/t23-/m0/s1
InChIKeyOXPXZUUTKUULRE-QHCPKHFHSA-N
MW429.61 g/mol
LogP4.07
Rot. Bonds13

About 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one (PubChem CID 151406566) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
PubChem CID151406566
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C25H39N3O3/c29-22-13-11-20(21-12-14-24(31)27-25(21)22)23(30)19-26-15-7-4-2-1-3-5-8-16-28-17-9-6-10-18-28/h11-14,23,26,29-30H,1-10,15-19H2,(H,27,31)/t23-/m0/s1
InChIKeyOXPXZUUTKUULRE-QHCPKHFHSA-N
XLogP4.07
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]-3-(2-piperidin-1-ylethyl)urea
CID 160615918
[1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]urea
CID 91361078
1-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]-3-(3-piperidin-1-ylpropyl)urea;(2-phenylphenyl)carbamic acid
CID 159886022
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
[1-[8-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]octyl]piperidin-4-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118352826
8-hydroxy-5-[1-hydroxy-2-[9-[4-[[3-[hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]piperidin-1-yl]nonylamino]ethyl]-1H-quinolin-2-one
CID 143923897
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
[1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]methyl 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
CID 118352790
4-[2-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoic acid
CID 118364118
[1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate
CID 122194235
[1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]methyl 2-hydroxy-2-phenyl-2-thiophen-3-ylacetate
CID 118352830
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one (CID 151406566) is 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one is O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCCCC3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is OXPXZUUTKUULRE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H39N3O3/c29-22-13-11-20(21-12-14-24(31)27-25(21)22)23(30)19-26-15-7-4-2-1-3-5-8-16-28-17-9-6-10-18-28/h11-14,23,26,29-30H,1-10,15-19H2,(H,27,31)/t23-/m0/s1.
What are the key properties of 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 429.61 g/mol, XLogP of 4.07, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 151406566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).