methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate

C15H13FN2O2 — CID 70207195

IUPACmethyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate
SMILESCOC(=O)c1nc2cc(F)ccc2c2c1c(C)cn2C
InChIInChI=1S/C15H13FN2O2/c1-8-7-18(2)14-10-5-4-9(16)6-11(10)17-13(12(8)14)15(19)20-3/h4-7H,1-3H3
InChIKeyOAPANGILODKUIT-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.96
Rot. Bonds1

About methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate

methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate (PubChem CID 70207195) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate
PubChem CID70207195
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Namemethyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate
SMILESCOC(=O)c1nc2cc(F)ccc2c2c1c(C)cn2C
InChIInChI=1S/C15H13FN2O2/c1-8-7-18(2)14-10-5-4-9(16)6-11(10)17-13(12(8)14)15(19)20-3/h4-7H,1-3H3
InChIKeyOAPANGILODKUIT-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate?
The IUPAC name of methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate (CID 70207195) is methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate?
The canonical SMILES for methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate is COC(=O)c1nc2cc(F)ccc2c2c1c(C)cn2C.
What is the InChIKey of methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate?
The InChIKey is OAPANGILODKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-8-7-18(2)14-10-5-4-9(16)6-11(10)17-13(12(8)14)15(19)20-3/h4-7H,1-3H3.
What are the key properties of methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate?
methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate has a molecular weight of 272.28 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate is sourced from PubChem (CID 70207195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).