5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C17H16N4O3 — CID 134346317

IUPAC5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESC#Cn1cc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cn1
InChIInChI=1S/C17H16N4O3/c1-2-21-10-11(8-19-21)7-18-9-15(23)12-3-5-14(22)17-13(12)4-6-16(24)20-17/h1,3-6,8,10,15,18,22-23H,7,9H2,(H,20,24)
InChIKeyHUFSKMBVNCXRPR-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.69
Rot. Bonds5

About 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 134346317) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID134346317
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESC#Cn1cc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cn1
InChIInChI=1S/C17H16N4O3/c1-2-21-10-11(8-19-21)7-18-9-15(23)12-3-5-14(22)17-13(12)4-6-16(24)20-17/h1,3-6,8,10,15,18,22-23H,7,9H2,(H,20,24)
InChIKeyHUFSKMBVNCXRPR-UHFFFAOYSA-N
XLogP0.69
TPSA103.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-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

8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
4-[2-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoic acid
CID 118364118
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
CID 151406566
4-[[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)propylamino]methyl]benzaldehyde
CID 144639002
8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one
CID 167055215
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]ethyl]-1H-quinolin-2-one
CID 11266679
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
[5-[4-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-2-yl]butyl]-2-phenylphenyl]carbamic acid
CID 90240659
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 134346317) is 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is C#Cn1cc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cn1.
What is the InChIKey of 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is HUFSKMBVNCXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-2-21-10-11(8-19-21)7-18-9-15(23)12-3-5-14(22)17-13(12)4-6-16(24)20-17/h1,3-6,8,10,15,18,22-23H,7,9H2,(H,20,24).
What are the key properties of 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 324.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-ethynylpyrazol-4-yl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 134346317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).