2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol

C17H19FN2O3 — CID 175806618

IUPAC2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
SMILESNc1nc2cc(CC3OC4CCCC4(O)C3O)ccc2cc1F
InChIInChI=1S/C17H19FN2O3/c18-11-8-10-4-3-9(6-12(10)20-16(11)19)7-13-15(21)17(22)5-1-2-14(17)23-13/h3-4,6,8,13-15,21-22H,1-2,5,7H2,(H2,19,20)
InChIKeyQVOPIWWOHWMJCB-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.54
Rot. Bonds2

About 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol

2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol (PubChem CID 175806618) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol.

Molecular Properties

Compound Name2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
PubChem CID175806618
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
SMILESNc1nc2cc(CC3OC4CCCC4(O)C3O)ccc2cc1F
InChIInChI=1S/C17H19FN2O3/c18-11-8-10-4-3-9(6-12(10)20-16(11)19)7-13-15(21)17(22)5-1-2-14(17)23-13/h3-4,6,8,13-15,21-22H,1-2,5,7H2,(H2,19,20)
InChIKeyQVOPIWWOHWMJCB-UHFFFAOYSA-N
XLogP1.54
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The IUPAC name of 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol (CID 175806618) is 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol.
What is the SMILES notation for 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The canonical SMILES for 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol is Nc1nc2cc(CC3OC4CCCC4(O)C3O)ccc2cc1F.
What is the InChIKey of 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The InChIKey is QVOPIWWOHWMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-11-8-10-4-3-9(6-12(10)20-16(11)19)7-13-15(21)17(22)5-1-2-14(17)23-13/h3-4,6,8,13-15,21-22H,1-2,5,7H2,(H2,19,20).
What are the key properties of 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol has a molecular weight of 318.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol is sourced from PubChem (CID 175806618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).