1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide

C22H23N3O5 — CID 131953859

IUPAC1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-16-11-9-15(10-12-16)23-22(28)18-14-25(13-5-4-8-20(26)24-29)19-7-3-2-6-17(19)21(18)27/h2-3,6-7,9-12,14,29H,4-5,8,13H2,1H3,(H,23,28)(H,24,26)
InChIKeyUNUFWGUYWQLNBD-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.94
Rot. Bonds8

About 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide

1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 131953859) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID131953859
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-16-11-9-15(10-12-16)23-22(28)18-14-25(13-5-4-8-20(26)24-29)19-7-3-2-6-17(19)21(18)27/h2-3,6-7,9-12,14,29H,4-5,8,13H2,1H3,(H,23,28)(H,24,26)
InChIKeyUNUFWGUYWQLNBD-UHFFFAOYSA-N
XLogP2.94
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide (CID 131953859) is 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide is COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1.
What is the InChIKey of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is UNUFWGUYWQLNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-30-16-11-9-15(10-12-16)23-22(28)18-14-25(13-5-4-8-20(26)24-29)19-7-3-2-6-17(19)21(18)27/h2-3,6-7,9-12,14,29H,4-5,8,13H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 131953859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).