methyl 11-methylbenzo[a]carbazole-5-carboxylate

C19H15NO2 — CID 10493655

IUPACmethyl 11-methylbenzo[a]carbazole-5-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2c2ccccc12
InChIInChI=1S/C19H15NO2/c1-20-17-10-6-5-8-13(17)15-11-16(19(21)22-2)12-7-3-4-9-14(12)18(15)20/h3-11H,1-2H3
InChIKeyJWQVALOMGKUMML-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.27
Rot. Bonds1

About methyl 11-methylbenzo[a]carbazole-5-carboxylate

methyl 11-methylbenzo[a]carbazole-5-carboxylate (PubChem CID 10493655) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 11-methylbenzo[a]carbazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 11-methylbenzo[a]carbazole-5-carboxylate
PubChem CID10493655
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Namemethyl 11-methylbenzo[a]carbazole-5-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2c2ccccc12
InChIInChI=1S/C19H15NO2/c1-20-17-10-6-5-8-13(17)15-11-16(19(21)22-2)12-7-3-4-9-14(12)18(15)20/h3-11H,1-2H3
InChIKeyJWQVALOMGKUMML-UHFFFAOYSA-N
XLogP4.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 11-methylbenzo[a]carbazole-5-carboxylate?
The IUPAC name of methyl 11-methylbenzo[a]carbazole-5-carboxylate (CID 10493655) is methyl 11-methylbenzo[a]carbazole-5-carboxylate.
What is the SMILES notation for methyl 11-methylbenzo[a]carbazole-5-carboxylate?
The canonical SMILES for methyl 11-methylbenzo[a]carbazole-5-carboxylate is COC(=O)c1cc2c3ccccc3n(C)c2c2ccccc12.
What is the InChIKey of methyl 11-methylbenzo[a]carbazole-5-carboxylate?
The InChIKey is JWQVALOMGKUMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-20-17-10-6-5-8-13(17)15-11-16(19(21)22-2)12-7-3-4-9-14(12)18(15)20/h3-11H,1-2H3.
What are the key properties of methyl 11-methylbenzo[a]carbazole-5-carboxylate?
methyl 11-methylbenzo[a]carbazole-5-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methylbenzo[a]carbazole-5-carboxylate is sourced from PubChem (CID 10493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).