2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide

C22H21FN2O2 — CID 56534973

IUPAC2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CC1c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c23-17-9-7-15(8-10-17)18-14-19(18)22(26)25-12-3-13-27-20-6-1-4-16-5-2-11-24-21(16)20/h1-2,4-11,18-19H,3,12-14H2,(H,25,26)
InChIKeyRZPYYEQONMXBPC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.06
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide (PubChem CID 56534973) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
PubChem CID56534973
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CC1c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c23-17-9-7-15(8-10-17)18-14-19(18)22(26)25-12-3-13-27-20-6-1-4-16-5-2-11-24-21(16)20/h1-2,4-11,18-19H,3,12-14H2,(H,25,26)
InChIKeyRZPYYEQONMXBPC-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
CID 95303794
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
1-(3,5-difluorophenyl)-5-oxo-N-(3-quinolin-8-yloxypropyl)pyrrolidine-3-carboxamide
CID 56585634
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
CID 56534724
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
CID 125176289
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535016
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
trans-(1R,2R)-2-(4-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)cyclopropane-1-carboxamide
CID 36937079
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide (CID 56534973) is 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide is O=C(NCCCOc1cccc2cccnc12)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide?
The InChIKey is RZPYYEQONMXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-17-9-7-15(8-10-17)18-14-19(18)22(26)25-12-3-13-27-20-6-1-4-16-5-2-11-24-21(16)20/h1-2,4-11,18-19H,3,12-14H2,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56534973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).