N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide

C26H29N3O4 — CID 152877752

IUPACN-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
SMILESO=C(CO)CCCCCCNC(=O)c1ccc(CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C26H29N3O4/c30-18-22(31)9-3-1-2-4-15-28-26(33)21-13-11-19(12-14-21)17-24(32)29-23-10-5-7-20-8-6-16-27-25(20)23/h5-8,10-14,16,30H,1-4,9,15,17-18H2,(H,28,33)(H,29,32)
InChIKeyUATNBKSVTTUICN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.66
Rot. Bonds12

About N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide

N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide (PubChem CID 152877752) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
PubChem CID152877752
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
SMILESO=C(CO)CCCCCCNC(=O)c1ccc(CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C26H29N3O4/c30-18-22(31)9-3-1-2-4-15-28-26(33)21-13-11-19(12-14-21)17-24(32)29-23-10-5-7-20-8-6-16-27-25(20)23/h5-8,10-14,16,30H,1-4,9,15,17-18H2,(H,28,33)(H,29,32)
InChIKeyUATNBKSVTTUICN-UHFFFAOYSA-N
XLogP3.66
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
N-quinolin-8-ylundecanamide
CID 3567928
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The IUPAC name of N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide (CID 152877752) is N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide.
What is the SMILES notation for N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The canonical SMILES for N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide is O=C(CO)CCCCCCNC(=O)c1ccc(CC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The InChIKey is UATNBKSVTTUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-18-22(31)9-3-1-2-4-15-28-26(33)21-13-11-19(12-14-21)17-24(32)29-23-10-5-7-20-8-6-16-27-25(20)23/h5-8,10-14,16,30H,1-4,9,15,17-18H2,(H,28,33)(H,29,32).
What are the key properties of N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.66, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-7-oxooctyl)-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide is sourced from PubChem (CID 152877752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).