1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

C21H22N4O4 — CID 46830417

IUPAC1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C21H22N4O4/c26-19(24-29)8-2-1-5-13-25-14-17(20(27)16-6-3-4-7-18(16)25)21(28)23-15-9-11-22-12-10-15/h3-4,6-7,9-12,14,29H,1-2,5,8,13H2,(H,24,26)(H,22,23,28)
InChIKeyHCYYYPRITZLBKZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.71
Rot. Bonds8

About 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 46830417) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
PubChem CID46830417
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C21H22N4O4/c26-19(24-29)8-2-1-5-13-25-14-17(20(27)16-6-3-4-7-18(16)25)21(28)23-15-9-11-22-12-10-15/h3-4,6-7,9-12,14,29H,1-2,5,8,13H2,(H,24,26)(H,22,23,28)
InChIKeyHCYYYPRITZLBKZ-UHFFFAOYSA-N
XLogP2.71
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.71
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'}

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Related Compounds

1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 131953863
N-(4-tert-butylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46830422
N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46830727
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
1-[6-(2-aminoanilino)-6-oxohexyl]-N-(2,4-dimethylphenyl)-4-oxoquinoline-3-carboxamide
CID 46832713
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
CID 46831614
6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46834468
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902
dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 30131954

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (CID 46830417) is 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is O=C(CCCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO.
What is the InChIKey of 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is HCYYYPRITZLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-19(24-29)8-2-1-5-13-25-14-17(20(27)16-6-3-4-7-18(16)25)21(28)23-15-9-11-22-12-10-15/h3-4,6-7,9-12,14,29H,1-2,5,8,13H2,(H,24,26)(H,22,23,28).
What are the key properties of 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 46830417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).