ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

C30H31N3O6 — CID 10052698

IUPACethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(Cc2c3[nH]c(C(=O)OCC)c(C)c3c(C)c3[nH]c4ccc(O)cc4c23)c(C(C)=O)c1C
InChIInChI=1S/C30H31N3O6/c1-7-38-29(36)26-15(5)23(16(6)34)21(32-26)12-19-24-18-11-17(35)9-10-20(18)31-25(24)13(3)22-14(4)27(33-28(19)22)30(37)39-8-2/h9-11,31-33,35H,7-8,12H2,1-6H3
InChIKeyWWVCJBHZIHDRLR-UHFFFAOYSA-N
MW529.59 g/mol
LogP5.91
Rot. Bonds7

About ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 10052698) has the molecular formula C30H31N3O6 and a molecular weight of 529.59 g/mol. Its IUPAC name is ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID10052698
Molecular FormulaC30H31N3O6
Molecular Weight529.59 g/mol
Exact Mass529.22
IUPAC Nameethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(Cc2c3[nH]c(C(=O)OCC)c(C)c3c(C)c3[nH]c4ccc(O)cc4c23)c(C(C)=O)c1C
InChIInChI=1S/C30H31N3O6/c1-7-38-29(36)26-15(5)23(16(6)34)21(32-26)12-19-24-18-11-17(35)9-10-20(18)31-25(24)13(3)22-14(4)27(33-28(19)22)30(37)39-8-2/h9-11,31-33,35H,7-8,12H2,1-6H3
InChIKeyWWVCJBHZIHDRLR-UHFFFAOYSA-N
XLogP5.91
TPSA137.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.59
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate with MolForge

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Related Compounds

ethyl 19-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-13,15-dimethyl-5,7-dioxa-11,17-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2,4(8),9,13,15,18-heptaene-16-carboxylate
CID 10257156
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040
ethyl 4-acetyl-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]-1H-pyrrole-2-carboxylate
CID 10359772
ethyl 4-acetyl-5-(1H-indol-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 22902292
ethyl 4-acetyl-5-[(2-hydroxy-3,5-dimethylphenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 101036410
ethyl 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 22902257
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
diethyl 5-[(4-hydroxybenzoyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 22107913
ethyl 7-acetyl-3-methyl-1H-indole-2-carboxylate
CID 14905464
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (CID 10052698) is ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is CCOC(=O)c1[nH]c(Cc2c3[nH]c(C(=O)OCC)c(C)c3c(C)c3[nH]c4ccc(O)cc4c23)c(C(C)=O)c1C.
What is the InChIKey of ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is WWVCJBHZIHDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6/c1-7-38-29(36)26-15(5)23(16(6)34)21(32-26)12-19-24-18-11-17(35)9-10-20(18)31-25(24)13(3)22-14(4)27(33-28(19)22)30(37)39-8-2/h9-11,31-33,35H,7-8,12H2,1-6H3.
What are the key properties of ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 529.59 g/mol, XLogP of 5.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 10052698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).