methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate

C22H19NO4 — CID 150364727

IUPACmethyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c([nH]c3ccccc32)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H19NO4/c1-25-18-11-8-13(12-19(18)26-2)20-16(22(24)27-3)10-9-15-14-6-4-5-7-17(14)23-21(15)20/h4-12,23H,1-3H3
InChIKeyGWLOECOEFBMBAV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.79
Rot. Bonds4

About methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate

methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate (PubChem CID 150364727) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
PubChem CID150364727
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c([nH]c3ccccc32)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H19NO4/c1-25-18-11-8-13(12-19(18)26-2)20-16(22(24)27-3)10-9-15-14-6-4-5-7-17(14)23-21(15)20/h4-12,23H,1-3H3
InChIKeyGWLOECOEFBMBAV-UHFFFAOYSA-N
XLogP4.79
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
1-phenyl-9H-carbazole-2-carboxamide
CID 174872973
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
butyl 4-(3,4-dimethoxyphenyl)-2-oxo-1H-quinoline-3-carboxylate
CID 140995779
[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate
CID 175035016
4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
CID 6602977
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 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole
CID 69375185
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate?
The IUPAC name of methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate (CID 150364727) is methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate?
The canonical SMILES for methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate is COC(=O)c1ccc2c([nH]c3ccccc32)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate?
The InChIKey is GWLOECOEFBMBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-18-11-8-13(12-19(18)26-2)20-16(22(24)27-3)10-9-15-14-6-4-5-7-17(14)23-21(15)20/h4-12,23H,1-3H3.
What are the key properties of methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate?
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate is sourced from PubChem (CID 150364727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).