N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

C20H25N3O3 — CID 86293233

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(CCCCCNC(=O)c1c2c(nc3ccccc13)CCCC2)NO
InChIInChI=1S/C20H25N3O3/c24-18(23-26)12-2-1-7-13-21-20(25)19-14-8-3-5-10-16(14)22-17-11-6-4-9-15(17)19/h3,5,8,10,26H,1-2,4,6-7,9,11-13H2,(H,21,25)(H,23,24)
InChIKeyBKCWSLDVQYMWPR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.91
Rot. Bonds7

About N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 86293233) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID86293233
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(CCCCCNC(=O)c1c2c(nc3ccccc13)CCCC2)NO
InChIInChI=1S/C20H25N3O3/c24-18(23-26)12-2-1-7-13-21-20(25)19-14-8-3-5-10-16(14)22-17-11-6-4-9-15(17)19/h3,5,8,10,26H,1-2,4,6-7,9,11-13H2,(H,21,25)(H,23,24)
InChIKeyBKCWSLDVQYMWPR-UHFFFAOYSA-N
XLogP2.91
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.91
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'}

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Related Compounds

methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide
CID 155666132
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 86293233) is N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide is O=C(CCCCCNC(=O)c1c2c(nc3ccccc13)CCCC2)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is BKCWSLDVQYMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-18(23-26)12-2-1-7-13-21-20(25)19-14-8-3-5-10-16(14)22-17-11-6-4-9-15(17)19/h3,5,8,10,26H,1-2,4,6-7,9,11-13H2,(H,21,25)(H,23,24).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.91, 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]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 86293233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).