1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

C20H20N4O4 — CID 131953863

IUPAC1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C20H20N4O4/c25-18(23-28)7-3-4-12-24-13-16(19(26)15-5-1-2-6-17(15)24)20(27)22-14-8-10-21-11-9-14/h1-2,5-6,8-11,13,28H,3-4,7,12H2,(H,23,25)(H,21,22,27)
InChIKeyURDVCPWXGMFGAK-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.32
Rot. Bonds7

About 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 131953863) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
PubChem CID131953863
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C20H20N4O4/c25-18(23-28)7-3-4-12-24-13-16(19(26)15-5-1-2-6-17(15)24)20(27)22-14-8-10-21-11-9-14/h1-2,5-6,8-11,13,28H,3-4,7,12H2,(H,23,25)(H,21,22,27)
InChIKeyURDVCPWXGMFGAK-UHFFFAOYSA-N
XLogP2.32
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (CID 131953863) is 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is O=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc21)NO.
What is the InChIKey of 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is URDVCPWXGMFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-18(23-28)7-3-4-12-24-13-16(19(26)15-5-1-2-6-17(15)24)20(27)22-14-8-10-21-11-9-14/h1-2,5-6,8-11,13,28H,3-4,7,12H2,(H,23,25)(H,21,22,27).
What are the key properties of 1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.32, 7 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]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 131953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).