N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide

C20H21N3O3 — CID 154731987

IUPACN-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide
SMILESO=C(CCCCCNC(=O)c1cccc2cc3ccccc3nc12)NO
InChIInChI=1S/C20H21N3O3/c24-18(23-26)11-2-1-5-12-21-20(25)16-9-6-8-15-13-14-7-3-4-10-17(14)22-19(15)16/h3-4,6-10,13,26H,1-2,5,11-12H2,(H,21,25)(H,23,24)
InChIKeyIQSOIKNMFKWXSR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.18
Rot. Bonds7

About N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide

N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide (PubChem CID 154731987) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide
PubChem CID154731987
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide
SMILESO=C(CCCCCNC(=O)c1cccc2cc3ccccc3nc12)NO
InChIInChI=1S/C20H21N3O3/c24-18(23-26)11-2-1-5-12-21-20(25)16-9-6-8-15-13-14-7-3-4-10-17(14)22-19(15)16/h3-4,6-10,13,26H,1-2,5,11-12H2,(H,21,25)(H,23,24)
InChIKeyIQSOIKNMFKWXSR-UHFFFAOYSA-N
XLogP3.18
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide (CID 154731987) is N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide is O=C(CCCCCNC(=O)c1cccc2cc3ccccc3nc12)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide?
The InChIKey is IQSOIKNMFKWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18(23-26)11-2-1-5-12-21-20(25)16-9-6-8-15-13-14-7-3-4-10-17(14)22-19(15)16/h3-4,6-10,13,26H,1-2,5,11-12H2,(H,21,25)(H,23,24).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide?
N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide is sourced from PubChem (CID 154731987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).