cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate

C19H14FNO2 — CID 174611223

IUPACcyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate
SMILESO=C(OC1CC1)c1cnc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c20-13-7-5-12(6-8-13)18-15-3-1-2-4-17(15)21-11-16(18)19(22)23-14-9-10-14/h1-8,11,14H,9-10H2
InChIKeyAXQVFQKSUATAOI-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.36
Rot. Bonds3

About cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate

cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate (PubChem CID 174611223) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate
PubChem CID174611223
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Namecyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate
SMILESO=C(OC1CC1)c1cnc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c20-13-7-5-12(6-8-13)18-15-3-1-2-4-17(15)21-11-16(18)19(22)23-14-9-10-14/h1-8,11,14H,9-10H2
InChIKeyAXQVFQKSUATAOI-UHFFFAOYSA-N
XLogP4.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate?
The IUPAC name of cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate (CID 174611223) is cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate.
What is the SMILES notation for cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate?
The canonical SMILES for cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate is O=C(OC1CC1)c1cnc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate?
The InChIKey is AXQVFQKSUATAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c20-13-7-5-12(6-8-13)18-15-3-1-2-4-17(15)21-11-16(18)19(22)23-14-9-10-14/h1-8,11,14H,9-10H2.
What are the key properties of cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate?
cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate has a molecular weight of 307.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4-(4-fluorophenyl)quinoline-3-carboxylate is sourced from PubChem (CID 174611223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).