6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide

C27H27N5O4 — CID 23557280

IUPAC6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide
SMILESO=C(CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1)NO
InChIInChI=1S/C27H27N5O4/c33-25(32-36)9-3-1-2-8-22(26(34)30-20-10-12-23-18(16-20)6-4-14-28-23)27(35)31-21-11-13-24-19(17-21)7-5-15-29-24/h4-7,10-17,22,36H,1-3,8-9H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyRMLTYADWPTYXJV-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.43
Rot. Bonds10

About 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide

6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide (PubChem CID 23557280) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide.

Molecular Properties

Compound Name6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide
PubChem CID23557280
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide
SMILESO=C(CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1)NO
InChIInChI=1S/C27H27N5O4/c33-25(32-36)9-3-1-2-8-22(26(34)30-20-10-12-23-18(16-20)6-4-14-28-23)27(35)31-21-11-13-24-19(17-21)7-5-15-29-24/h4-7,10-17,22,36H,1-3,8-9H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyRMLTYADWPTYXJV-UHFFFAOYSA-N
XLogP4.43
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

1,3-Di-6-quinolylurea
CID 68281
N-(quinolin-6-yl)-6-(sulfamoylamino)hexanamide
CID 25216938
N-(quinolin-6-yl)benzamide
CID 833617
4-Methyl-N-5-quinolinyl-cyclohexaneacetamide
CID 11414871
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-1-oxo-3-quinolin-3-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44311525
N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide
CID 644850
4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 4532204
Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-
CID 5236119
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-ylamino)octan-2-yl)benzamide
CID 9889124
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-ylamino)octan-2-yl)quinoline-2-carboxamide
CID 11202558
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-ylamino)octan-2-yl)quinoline-2-carboxamide
CID 11454564
N-(2-aminophenyl)-4-(1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl)benzamide
CID 16006776

Frequently Asked Questions

What is the IUPAC name of 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide?
The IUPAC name of 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide (CID 23557280) is 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide.
What is the SMILES notation for 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide?
The canonical SMILES for 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide is O=C(CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1)NO.
What is the InChIKey of 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide?
The InChIKey is RMLTYADWPTYXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c33-25(32-36)9-3-1-2-8-22(26(34)30-20-10-12-23-18(16-20)6-4-14-28-23)27(35)31-21-11-13-24-19(17-21)7-5-15-29-24/h4-7,10-17,22,36H,1-3,8-9H2,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide?
6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.43, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hydroxy-1-N,1-N-di(quinolin-6-yl)hexane-1,1,6-tricarboxamide is sourced from PubChem (CID 23557280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).