ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate

C21H22N2O4 — CID 67851388

IUPACethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3[nH]c4c(OC)ccc(OC)c4c3c(C)c2c1C
InChIInChI=1S/C21H22N2O4/c1-6-27-21(24)19-11(3)16-10(2)17-13(9-12(16)22-19)23-20-15(26-5)8-7-14(25-4)18(17)20/h7-9,22-23H,6H2,1-5H3
InChIKeyBRVMOMZGSYSQFN-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.61
Rot. Bonds4

About ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate

ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate (PubChem CID 67851388) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
PubChem CID67851388
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3[nH]c4c(OC)ccc(OC)c4c3c(C)c2c1C
InChIInChI=1S/C21H22N2O4/c1-6-27-21(24)19-11(3)16-10(2)17-13(9-12(16)22-19)23-20-15(26-5)8-7-14(25-4)18(17)20/h7-9,22-23H,6H2,1-5H3
InChIKeyBRVMOMZGSYSQFN-UHFFFAOYSA-N
XLogP4.61
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate with MolForge

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Related Compounds

ethyl 5-methoxy-3-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylate
CID 67053486
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
2-O-[(2,5-dimethoxyphenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572870
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate
CID 101036409
2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
CID 57321430
2-O-ethyl 4-O-[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601280
ethyl 5,6-dimethoxy-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 67550092
4-O-[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2638962
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271

Frequently Asked Questions

What is the IUPAC name of ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate (CID 67851388) is ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate is CCOC(=O)c1[nH]c2cc3[nH]c4c(OC)ccc(OC)c4c3c(C)c2c1C.
What is the InChIKey of ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The InChIKey is BRVMOMZGSYSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-6-27-21(24)19-11(3)16-10(2)17-13(9-12(16)22-19)23-20-15(26-5)8-7-14(25-4)18(17)20/h7-9,22-23H,6H2,1-5H3.
What are the key properties of ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate is sourced from PubChem (CID 67851388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).