4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide

C23H24ClN3O3 — CID 56535280

IUPAC4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C23H24ClN3O3/c24-19-11-9-18(10-12-19)23(29)27-14-3-8-21(28)25-15-4-16-30-20-7-1-5-17-6-2-13-26-22(17)20/h1-2,5-7,9-13H,3-4,8,14-16H2,(H,25,28)(H,27,29)
InChIKeyBPJJLAOZLCXWTF-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.98
Rot. Bonds10

About 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide

4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide (PubChem CID 56535280) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
PubChem CID56535280
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C23H24ClN3O3/c24-19-11-9-18(10-12-19)23(29)27-14-3-8-21(28)25-15-4-16-30-20-7-1-5-17-6-2-13-26-22(17)20/h1-2,5-7,9-13H,3-4,8,14-16H2,(H,25,28)(H,27,29)
InChIKeyBPJJLAOZLCXWTF-UHFFFAOYSA-N
XLogP3.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]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

4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
CID 56534843
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide (CID 56535280) is 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCCOc1cccc2cccnc12.
What is the InChIKey of 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The InChIKey is BPJJLAOZLCXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-19-11-9-18(10-12-19)23(29)27-14-3-8-21(28)25-15-4-16-30-20-7-1-5-17-6-2-13-26-22(17)20/h1-2,5-7,9-13H,3-4,8,14-16H2,(H,25,28)(H,27,29).
What are the key properties of 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide is sourced from PubChem (CID 56535280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).