1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide

C22H23N3O5 — CID 131953869

IUPAC1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1)cn2CCCCC(=O)NO
InChIInChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26)
InChIKeyLCYAKIAUIKJXQT-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.94
Rot. Bonds8

About 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide

1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 131953869) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide
PubChem CID131953869
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1)cn2CCCCC(=O)NO
InChIInChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26)
InChIKeyLCYAKIAUIKJXQT-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]-6-methoxy-4-oxo-N-phenylquinoline-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]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide (CID 131953869) is 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide is COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1)cn2CCCCC(=O)NO.
What is the InChIKey of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is LCYAKIAUIKJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide?
1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-4-oxo-N-phenylquinoline-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]-6-methoxy-4-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 131953869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).