4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline

C24H26FNO2 — CID 123466842

IUPAC4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline
SMILESCCCC#Cc1c(OC2CCOC2)nc2c(c1-c1cccc(F)c1)CCCC2
InChIInChI=1S/C24H26FNO2/c1-2-3-4-11-21-23(17-8-7-9-18(25)15-17)20-10-5-6-12-22(20)26-24(21)28-19-13-14-27-16-19/h7-9,15,19H,2-3,5-6,10,12-14,16H2,1H3
InChIKeyIVZOEVYMLPJZFM-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.09
Rot. Bonds4

About 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline

4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline (PubChem CID 123466842) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline
PubChem CID123466842
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline
SMILESCCCC#Cc1c(OC2CCOC2)nc2c(c1-c1cccc(F)c1)CCCC2
InChIInChI=1S/C24H26FNO2/c1-2-3-4-11-21-23(17-8-7-9-18(25)15-17)20-10-5-6-12-22(20)26-24(21)28-19-13-14-27-16-19/h7-9,15,19H,2-3,5-6,10,12-14,16H2,1H3
InChIKeyIVZOEVYMLPJZFM-UHFFFAOYSA-N
XLogP5.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline (CID 123466842) is 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline is CCCC#Cc1c(OC2CCOC2)nc2c(c1-c1cccc(F)c1)CCCC2.
What is the InChIKey of 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is IVZOEVYMLPJZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c1-2-3-4-11-21-23(17-8-7-9-18(25)15-17)20-10-5-6-12-22(20)26-24(21)28-19-13-14-27-16-19/h7-9,15,19H,2-3,5-6,10,12-14,16H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline?
4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 379.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 123466842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).