11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol

C24H34FNO2 — CID 86300011

IUPAC11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol
SMILESOCCCCCCCCCCCc1ccc2c(F)ccc(OCC3CC3)c2n1
InChIInChI=1S/C24H34FNO2/c25-22-15-16-23(28-18-19-11-12-19)24-21(22)14-13-20(26-24)10-8-6-4-2-1-3-5-7-9-17-27/h13-16,19,27H,1-12,17-18H2
InChIKeyAKTPETRXUNSGEU-UHFFFAOYSA-N
MW387.54 g/mol
LogP6.21
Rot. Bonds14

About 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol

11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol (PubChem CID 86300011) has the molecular formula C24H34FNO2 and a molecular weight of 387.54 g/mol. Its IUPAC name is 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol.

Molecular Properties

Compound Name11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol
PubChem CID86300011
Molecular FormulaC24H34FNO2
Molecular Weight387.54 g/mol
Exact Mass387.26
IUPAC Name11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol
SMILESOCCCCCCCCCCCc1ccc2c(F)ccc(OCC3CC3)c2n1
InChIInChI=1S/C24H34FNO2/c25-22-15-16-23(28-18-19-11-12-19)24-21(22)14-13-20(26-24)10-8-6-4-2-1-3-5-7-9-17-27/h13-16,19,27H,1-12,17-18H2
InChIKeyAKTPETRXUNSGEU-UHFFFAOYSA-N
XLogP6.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 56.21
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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Frequently Asked Questions

What is the IUPAC name of 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol?
The IUPAC name of 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol (CID 86300011) is 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol.
What is the SMILES notation for 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol?
The canonical SMILES for 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol is OCCCCCCCCCCCc1ccc2c(F)ccc(OCC3CC3)c2n1.
What is the InChIKey of 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol?
The InChIKey is AKTPETRXUNSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO2/c25-22-15-16-23(28-18-19-11-12-19)24-21(22)14-13-20(26-24)10-8-6-4-2-1-3-5-7-9-17-27/h13-16,19,27H,1-12,17-18H2.
What are the key properties of 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol?
11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol has a molecular weight of 387.54 g/mol, XLogP of 6.21, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol is sourced from PubChem (CID 86300011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).