10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol

C23H33NO2 — CID 85472576

IUPAC10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol
SMILESOCCCCCCCCCCc1ccc2cccc(OCC3CC3)c2n1
InChIInChI=1S/C23H33NO2/c25-17-8-6-4-2-1-3-5-7-11-21-16-15-20-10-9-12-22(23(20)24-21)26-18-19-13-14-19/h9-10,12,15-16,19,25H,1-8,11,13-14,17-18H2
InChIKeyFAXMCVQBQVXHPF-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.68
Rot. Bonds13

About 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol

10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol (PubChem CID 85472576) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol.

Molecular Properties

Compound Name10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol
PubChem CID85472576
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol
SMILESOCCCCCCCCCCc1ccc2cccc(OCC3CC3)c2n1
InChIInChI=1S/C23H33NO2/c25-17-8-6-4-2-1-3-5-7-11-21-16-15-20-10-9-12-22(23(20)24-21)26-18-19-13-14-19/h9-10,12,15-16,19,25H,1-8,11,13-14,17-18H2
InChIKeyFAXMCVQBQVXHPF-UHFFFAOYSA-N
XLogP5.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.68
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 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol?
The IUPAC name of 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol (CID 85472576) is 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol.
What is the SMILES notation for 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol?
The canonical SMILES for 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol is OCCCCCCCCCCc1ccc2cccc(OCC3CC3)c2n1.
What is the InChIKey of 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol?
The InChIKey is FAXMCVQBQVXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c25-17-8-6-4-2-1-3-5-7-11-21-16-15-20-10-9-12-22(23(20)24-21)26-18-19-13-14-19/h9-10,12,15-16,19,25H,1-8,11,13-14,17-18H2.
What are the key properties of 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol?
10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol has a molecular weight of 355.52 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol is sourced from PubChem (CID 85472576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).