2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline

C20H15F2NO — CID 141286091

IUPAC2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline
SMILESC=Cc1c(C2CC2)nc2ccc(F)c(F)c2c1Oc1ccccc1
InChIInChI=1S/C20H15F2NO/c1-2-14-19(12-8-9-12)23-16-11-10-15(21)18(22)17(16)20(14)24-13-6-4-3-5-7-13/h2-7,10-12H,1,8-9H2
InChIKeyKUZNGEKLPCBSFN-UHFFFAOYSA-N
MW323.34 g/mol
LogP5.83
Rot. Bonds4

About 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline

2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline (PubChem CID 141286091) has the molecular formula C20H15F2NO and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline.

Molecular Properties

Compound Name2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline
PubChem CID141286091
Molecular FormulaC20H15F2NO
Molecular Weight323.34 g/mol
Exact Mass323.11
IUPAC Name2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline
SMILESC=Cc1c(C2CC2)nc2ccc(F)c(F)c2c1Oc1ccccc1
InChIInChI=1S/C20H15F2NO/c1-2-14-19(12-8-9-12)23-16-11-10-15(21)18(22)17(16)20(14)24-13-6-4-3-5-7-13/h2-7,10-12H,1,8-9H2
InChIKeyKUZNGEKLPCBSFN-UHFFFAOYSA-N
XLogP5.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline?
The IUPAC name of 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline (CID 141286091) is 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline.
What is the SMILES notation for 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline?
The canonical SMILES for 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline is C=Cc1c(C2CC2)nc2ccc(F)c(F)c2c1Oc1ccccc1.
What is the InChIKey of 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline?
The InChIKey is KUZNGEKLPCBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO/c1-2-14-19(12-8-9-12)23-16-11-10-15(21)18(22)17(16)20(14)24-13-6-4-3-5-7-13/h2-7,10-12H,1,8-9H2.
What are the key properties of 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline?
2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline has a molecular weight of 323.34 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline is sourced from PubChem (CID 141286091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).