4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol

C15H16F2N2O2 — CID 71874415

IUPAC4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ccnc3c(F)ccc(F)c23)CCOCC1
InChIInChI=1S/C15H16F2N2O2/c16-10-1-2-11(17)14-13(10)12(3-6-18-14)19-9-15(20)4-7-21-8-5-15/h1-3,6,20H,4-5,7-9H2,(H,18,19)
InChIKeyFHQDUFYUXZZSLM-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.47
Rot. Bonds3

About 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol

4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 71874415) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol
PubChem CID71874415
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ccnc3c(F)ccc(F)c23)CCOCC1
InChIInChI=1S/C15H16F2N2O2/c16-10-1-2-11(17)14-13(10)12(3-6-18-14)19-9-15(20)4-7-21-8-5-15/h1-3,6,20H,4-5,7-9H2,(H,18,19)
InChIKeyFHQDUFYUXZZSLM-UHFFFAOYSA-N
XLogP2.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol (CID 71874415) is 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol is OC1(CNc2ccnc3c(F)ccc(F)c23)CCOCC1.
What is the InChIKey of 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is FHQDUFYUXZZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-10-1-2-11(17)14-13(10)12(3-6-18-14)19-9-15(20)4-7-21-8-5-15/h1-3,6,20H,4-5,7-9H2,(H,18,19).
What are the key properties of 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol?
4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 294.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,8-difluoroquinolin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 71874415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).