8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline

C16H16FN3O — CID 59320665

IUPAC8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline
SMILESCN1CCN(c2nc3ccc(F)cc3c3ccoc23)CC1
InChIInChI=1S/C16H16FN3O/c1-19-5-7-20(8-6-19)16-15-12(4-9-21-15)13-10-11(17)2-3-14(13)18-16/h2-4,9-10H,5-8H2,1H3
InChIKeyCPTTWKTZWAEGBW-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.87
Rot. Bonds1

About 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline

8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline (PubChem CID 59320665) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline
PubChem CID59320665
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline
SMILESCN1CCN(c2nc3ccc(F)cc3c3ccoc23)CC1
InChIInChI=1S/C16H16FN3O/c1-19-5-7-20(8-6-19)16-15-12(4-9-21-15)13-10-11(17)2-3-14(13)18-16/h2-4,9-10H,5-8H2,1H3
InChIKeyCPTTWKTZWAEGBW-UHFFFAOYSA-N
XLogP2.87
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline?
The IUPAC name of 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline (CID 59320665) is 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline.
What is the SMILES notation for 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline?
The canonical SMILES for 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline is CN1CCN(c2nc3ccc(F)cc3c3ccoc23)CC1.
What is the InChIKey of 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline?
The InChIKey is CPTTWKTZWAEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-19-5-7-20(8-6-19)16-15-12(4-9-21-15)13-10-11(17)2-3-14(13)18-16/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline?
8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline has a molecular weight of 285.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(4-methylpiperazin-1-yl)furo[2,3-c]quinoline is sourced from PubChem (CID 59320665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).