1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C22H23FN2O2 — CID 108977368

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1F)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-9-3-1-6-16(18)11-14-24-20(26)22(12-13-22)21(27)25-15-5-8-17-7-2-4-10-19(17)25/h1-4,6-7,9-10H,5,8,11-15H2,(H,24,26)
InChIKeyPOZONTAFJRFMAQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.24
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 108977368) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID108977368
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1F)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-9-3-1-6-16(18)11-14-24-20(26)22(12-13-22)21(27)25-15-5-8-17-7-2-4-10-19(17)25/h1-4,6-7,9-10H,5,8,11-15H2,(H,24,26)
InChIKeyPOZONTAFJRFMAQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108978374
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973642
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 108977368) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1ccccc1F)C1(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is POZONTAFJRFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-9-3-1-6-16(18)11-14-24-20(26)22(12-13-22)21(27)25-15-5-8-17-7-2-4-10-19(17)25/h1-4,6-7,9-10H,5,8,11-15H2,(H,24,26).
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108977368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).