ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

C19H17ClN2O2 — CID 10042916

IUPACethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3c([nH]c4ccc(Cl)cc43)c(C)c2c1C
InChIInChI=1S/C19H17ClN2O2/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/h5-8,21-22H,4H2,1-3H3
InChIKeyFAOLWMRWRNSYJT-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.25
Rot. Bonds2

About ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 10042916) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID10042916
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3c([nH]c4ccc(Cl)cc43)c(C)c2c1C
InChIInChI=1S/C19H17ClN2O2/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/h5-8,21-22H,4H2,1-3H3
InChIKeyFAOLWMRWRNSYJT-UHFFFAOYSA-N
XLogP5.25
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (CID 10042916) is ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is CCOC(=O)c1[nH]c2cc3c([nH]c4ccc(Cl)cc43)c(C)c2c1C.
What is the InChIKey of ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is FAOLWMRWRNSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/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/h5-8,21-22H,4H2,1-3H3.
What are the key properties of ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 10042916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).