(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide

C24H26N4O5 — CID 52948487

IUPAC(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)c1ccccc1O)C(=O)Nc1cccc2cccnc12)NO
InChIInChI=1S/C24H26N4O5/c29-20-13-5-4-10-17(20)23(31)27-19(11-2-1-3-14-21(30)28-33)24(32)26-18-12-6-8-16-9-7-15-25-22(16)18/h4-10,12-13,15,19,29,33H,1-3,11,14H2,(H,26,32)(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyZQXRLQDAJRHYMH-IBGZPJMESA-N
MW450.50 g/mol
LogP3.13
Rot. Bonds10

About (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide

(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide (PubChem CID 52948487) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide
PubChem CID52948487
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)c1ccccc1O)C(=O)Nc1cccc2cccnc12)NO
InChIInChI=1S/C24H26N4O5/c29-20-13-5-4-10-17(20)23(31)27-19(11-2-1-3-14-21(30)28-33)24(32)26-18-12-6-8-16-9-7-15-25-22(16)18/h4-10,12-13,15,19,29,33H,1-3,11,14H2,(H,26,32)(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyZQXRLQDAJRHYMH-IBGZPJMESA-N
XLogP3.13
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.13
H-Bond Donors ≤ 55
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-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide (CID 52948487) is (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide is O=C(CCCCC[C@H](NC(=O)c1ccccc1O)C(=O)Nc1cccc2cccnc12)NO.
What is the InChIKey of (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide?
The InChIKey is ZQXRLQDAJRHYMH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O5/c29-20-13-5-4-10-17(20)23(31)27-19(11-2-1-3-14-21(30)28-33)24(32)26-18-12-6-8-16-9-7-15-25-22(16)18/h4-10,12-13,15,19,29,33H,1-3,11,14H2,(H,26,32)(H,27,31)(H,28,30)/t19-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide?
(2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide has a molecular weight of 450.50 g/mol, XLogP of 3.13, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-[(2-hydroxybenzoyl)amino]-N-quinolin-8-yloctanediamide is sourced from PubChem (CID 52948487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).