4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide

C19H17IN2O2 — CID 56535258

IUPAC4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1ccc(I)cc1
InChIInChI=1S/C19H17IN2O2/c20-16-9-7-15(8-10-16)19(23)22-12-3-13-24-17-6-1-4-14-5-2-11-21-18(14)17/h1-2,4-11H,3,12-13H2,(H,22,23)
InChIKeyRWISUGVXZIJODZ-UHFFFAOYSA-N
MW432.26 g/mol
LogP4.04
Rot. Bonds6

About 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide

4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56535258) has the molecular formula C19H17IN2O2 and a molecular weight of 432.26 g/mol. Its IUPAC name is 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56535258
Molecular FormulaC19H17IN2O2
Molecular Weight432.26 g/mol
Exact Mass432.03
IUPAC Name4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1ccc(I)cc1
InChIInChI=1S/C19H17IN2O2/c20-16-9-7-15(8-10-16)19(23)22-12-3-13-24-17-6-1-4-14-5-2-11-21-18(14)17/h1-2,4-11H,3,12-13H2,(H,22,23)
InChIKeyRWISUGVXZIJODZ-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
CID 56534843
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
CID 56534634
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56535258) is 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide is O=C(NCCCOc1cccc2cccnc12)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is RWISUGVXZIJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O2/c20-16-9-7-15(8-10-16)19(23)22-12-3-13-24-17-6-1-4-14-5-2-11-21-18(14)17/h1-2,4-11H,3,12-13H2,(H,22,23).
What are the key properties of 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide?
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 432.26 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56535258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).