N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide

C20H20N4O2 — CID 164621314

IUPACN-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(-c4ccn[nH]4)ccc32)cc1
InChIInChI=1S/C20H20N4O2/c25-20(23-26)15-5-3-14(4-6-15)13-24-11-1-2-17-12-16(7-8-19(17)24)18-9-10-21-22-18/h3-10,12,26H,1-2,11,13H2,(H,21,22)(H,23,25)
InChIKeyPNISZNNEPJHZEF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.15
Rot. Bonds4

About N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide

N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide (PubChem CID 164621314) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
PubChem CID164621314
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(-c4ccn[nH]4)ccc32)cc1
InChIInChI=1S/C20H20N4O2/c25-20(23-26)15-5-3-14(4-6-15)13-24-11-1-2-17-12-16(7-8-19(17)24)18-9-10-21-22-18/h3-10,12,26H,1-2,11,13H2,(H,21,22)(H,23,25)
InChIKeyPNISZNNEPJHZEF-UHFFFAOYSA-N
XLogP3.15
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide (CID 164621314) is N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2CCCc3cc(-c4ccn[nH]4)ccc32)cc1.
What is the InChIKey of N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide?
The InChIKey is PNISZNNEPJHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(23-26)15-5-3-14(4-6-15)13-24-11-1-2-17-12-16(7-8-19(17)24)18-9-10-21-22-18/h3-10,12,26H,1-2,11,13H2,(H,21,22)(H,23,25).
What are the key properties of N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide?
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide is sourced from PubChem (CID 164621314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).