ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate

C18H13ClFN3O4 — CID 156848080

IUPACethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cnc3c(n2)COC3)c2cc(F)c(Cl)cc2c1=O
InChIInChI=1S/C18H13ClFN3O4/c1-2-27-18(25)10-6-23(16-5-21-13-7-26-8-14(13)22-16)15-4-12(20)11(19)3-9(15)17(10)24/h3-6H,2,7-8H2,1H3
InChIKeyPEPGDYNXMCWBLH-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.78
Rot. Bonds3

About ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate

ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 156848080) has the molecular formula C18H13ClFN3O4 and a molecular weight of 389.77 g/mol. Its IUPAC name is ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID156848080
Molecular FormulaC18H13ClFN3O4
Molecular Weight389.77 g/mol
Exact Mass389.06
IUPAC Nameethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cnc3c(n2)COC3)c2cc(F)c(Cl)cc2c1=O
InChIInChI=1S/C18H13ClFN3O4/c1-2-27-18(25)10-6-23(16-5-21-13-7-26-8-14(13)22-16)15-4-12(20)11(19)3-9(15)17(10)24/h3-6H,2,7-8H2,1H3
InChIKeyPEPGDYNXMCWBLH-UHFFFAOYSA-N
XLogP2.78
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate (CID 156848080) is ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(-c2cnc3c(n2)COC3)c2cc(F)c(Cl)cc2c1=O.
What is the InChIKey of ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is PEPGDYNXMCWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O4/c1-2-27-18(25)10-6-23(16-5-21-13-7-26-8-14(13)22-16)15-4-12(20)11(19)3-9(15)17(10)24/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate?
ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 389.77 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 156848080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).