methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate

C14H11ClFNO3 — CID 14006773

IUPACmethyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
SMILESCOC(=O)c1c2n(c3cc(Cl)c(F)cc3c1=O)CCC2
InChIInChI=1S/C14H11ClFNO3/c1-20-14(19)12-10-3-2-4-17(10)11-6-8(15)9(16)5-7(11)13(12)18/h5-6H,2-4H2,1H3
InChIKeyAFNLDOQOCRTFAU-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.53
Rot. Bonds1

About methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate

methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate (PubChem CID 14006773) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
PubChem CID14006773
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Namemethyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
SMILESCOC(=O)c1c2n(c3cc(Cl)c(F)cc3c1=O)CCC2
InChIInChI=1S/C14H11ClFNO3/c1-20-14(19)12-10-3-2-4-17(10)11-6-8(15)9(16)5-7(11)13(12)18/h5-6H,2-4H2,1H3
InChIKeyAFNLDOQOCRTFAU-UHFFFAOYSA-N
XLogP2.53
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The IUPAC name of methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate (CID 14006773) is methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate.
What is the SMILES notation for methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The canonical SMILES for methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate is COC(=O)c1c2n(c3cc(Cl)c(F)cc3c1=O)CCC2.
What is the InChIKey of methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
The InChIKey is AFNLDOQOCRTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-20-14(19)12-10-3-2-4-17(10)11-6-8(15)9(16)5-7(11)13(12)18/h5-6H,2-4H2,1H3.
What are the key properties of methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate?
methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate has a molecular weight of 295.70 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate is sourced from PubChem (CID 14006773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).