(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide

C27H27N5O4 — CID 11454564

IUPAC(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12)NO
InChIInChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1
InChIKeyHETZJVWRQHUFPY-QFIPXVFZSA-N
MW485.54 g/mol
LogP3.98
Rot. Bonds10

About (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide

(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide (PubChem CID 11454564) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide
PubChem CID11454564
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12)NO
InChIInChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1
InChIKeyHETZJVWRQHUFPY-QFIPXVFZSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 54
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 (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide (CID 11454564) is (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide is O=C(CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12)NO.
What is the InChIKey of (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide?
The InChIKey is HETZJVWRQHUFPY-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide?
(2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide has a molecular weight of 485.54 g/mol, XLogP of 3.98, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-(quinoline-2-carbonylamino)-N-quinolin-8-yloctanediamide is sourced from PubChem (CID 11454564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).