ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate

C15H13F2NO3 — CID 643352

IUPACethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)CCC2
InChIInChI=1S/C15H13F2NO3/c1-2-21-15(20)13-11-4-3-5-18(11)12-7-10(17)9(16)6-8(12)14(13)19/h6-7H,2-5H2,1H3
InChIKeyIKWUCFALENXALL-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.40
Rot. Bonds2

About ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate

ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate (PubChem CID 643352) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
PubChem CID643352
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Nameethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)CCC2
InChIInChI=1S/C15H13F2NO3/c1-2-21-15(20)13-11-4-3-5-18(11)12-7-10(17)9(16)6-8(12)14(13)19/h6-7H,2-5H2,1H3
InChIKeyIKWUCFALENXALL-UHFFFAOYSA-N
XLogP2.40
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate with MolForge

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Related Compounds

methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 14006773
ethyl 1-cyclopropyl-6,7-difluoro-2-(methylamino)-4-oxoquinoline-3-carboxylate
CID 139810521
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
CID 89023824
CID 89023824
ethyl 6-fluoro-4-oxo-7-phenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 67880068
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 6,7-difluoro-1-(furan-3-yl)-2-methylsulfanyl-4-oxoquinoline-3-carboxylate
CID 21294424
ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10408122
ethyl 6,7,8-trifluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 11723198
ethyl 6-fluoro-5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 143754515
ethyl 1-(3-chloro-4-pyridinyl)-6,7-difluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate
CID 21294406

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The IUPAC name of ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate (CID 643352) is ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate.
What is the SMILES notation for ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The canonical SMILES for ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate is CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)CCC2.
What is the InChIKey of ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The InChIKey is IKWUCFALENXALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-2-21-15(20)13-11-4-3-5-18(11)12-7-10(17)9(16)6-8(12)14(13)19/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate has a molecular weight of 293.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate is sourced from PubChem (CID 643352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).