dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate

C17H15NO4 — CID 132503759

IUPACdimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C17H15NO4/c1-9-11(16(19)21-2)8-12(17(20)22-3)15-14(9)10-6-4-5-7-13(10)18-15/h4-8,18H,1-3H3
InChIKeyQUAIQQFIEDTDQO-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.20
Rot. Bonds2

About dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate

dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate (PubChem CID 132503759) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
PubChem CID132503759
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namedimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C17H15NO4/c1-9-11(16(19)21-2)8-12(17(20)22-3)15-14(9)10-6-4-5-7-13(10)18-15/h4-8,18H,1-3H3
InChIKeyQUAIQQFIEDTDQO-UHFFFAOYSA-N
XLogP3.20
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
CID 102593234
methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14284076

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate (CID 132503759) is dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2[nH]c3ccccc3c2c1C.
What is the InChIKey of dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate?
The InChIKey is QUAIQQFIEDTDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-9-11(16(19)21-2)8-12(17(20)22-3)15-14(9)10-6-4-5-7-13(10)18-15/h4-8,18H,1-3H3.
What are the key properties of dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate?
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate is sourced from PubChem (CID 132503759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).