1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol

C15H18FN3O — CID 76736156

IUPAC1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
SMILESCC(N)c1cc(F)c2cccnc2c1N1CCC(O)C1
InChIInChI=1S/C15H18FN3O/c1-9(17)12-7-13(16)11-3-2-5-18-14(11)15(12)19-6-4-10(20)8-19/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3
InChIKeyVZWMLNDVMMPBCV-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.96
Rot. Bonds2

About 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol

1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol (PubChem CID 76736156) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
PubChem CID76736156
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
SMILESCC(N)c1cc(F)c2cccnc2c1N1CCC(O)C1
InChIInChI=1S/C15H18FN3O/c1-9(17)12-7-13(16)11-3-2-5-18-14(11)15(12)19-6-4-10(20)8-19/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3
InChIKeyVZWMLNDVMMPBCV-UHFFFAOYSA-N
XLogP1.96
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol (CID 76736156) is 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol is CC(N)c1cc(F)c2cccnc2c1N1CCC(O)C1.
What is the InChIKey of 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The InChIKey is VZWMLNDVMMPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(17)12-7-13(16)11-3-2-5-18-14(11)15(12)19-6-4-10(20)8-19/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3.
What are the key properties of 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol has a molecular weight of 275.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol is sourced from PubChem (CID 76736156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).