ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate

C19H15FN2O2 — CID 22902260

IUPACethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)-c1cc(F)ccc1N=3
InChIInChI=1S/C19H15FN2O2/c1-4-24-19(23)18-10(3)16-9(2)17-13(8-15(16)22-18)12-7-11(20)5-6-14(12)21-17/h5-8H,4H2,1-3H3
InChIKeyWOCFGKRCGWMYFY-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.99
Rot. Bonds2

About ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate

ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 22902260) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID22902260
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Nameethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)-c1cc(F)ccc1N=3
InChIInChI=1S/C19H15FN2O2/c1-4-24-19(23)18-10(3)16-9(2)17-13(8-15(16)22-18)12-7-11(20)5-6-14(12)21-17/h5-8H,4H2,1-3H3
InChIKeyWOCFGKRCGWMYFY-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate (CID 22902260) is ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate is CCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)-c1cc(F)ccc1N=3.
What is the InChIKey of ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is WOCFGKRCGWMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-4-24-19(23)18-10(3)16-9(2)17-13(8-15(16)22-18)12-7-11(20)5-6-14(12)21-17/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 22902260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).