3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol

C15H18FN3O2 — CID 106099576

IUPAC3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H18FN3O2/c1-9-15(20,4-6-21-9)8-19-14-11(16)7-12(17)10-3-2-5-18-13(10)14/h2-3,5,7,9,19-20H,4,6,8,17H2,1H3
InChIKeyZOZOTVJWUFSFIC-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.91
Rot. Bonds3

About 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106099576) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106099576
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H18FN3O2/c1-9-15(20,4-6-21-9)8-19-14-11(16)7-12(17)10-3-2-5-18-13(10)14/h2-3,5,7,9,19-20H,4,6,8,17H2,1H3
InChIKeyZOZOTVJWUFSFIC-UHFFFAOYSA-N
XLogP1.91
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106099576) is 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is ZOZOTVJWUFSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9-15(20,4-6-21-9)8-19-14-11(16)7-12(17)10-3-2-5-18-13(10)14/h2-3,5,7,9,19-20H,4,6,8,17H2,1H3.
What are the key properties of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 291.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).