2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate

C18H19ClN2O2 — CID 154123424

IUPAC2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate
SMILESCc1c(Cl)ccc2c1[nH]c1c(C(=O)OCCN(C)C)cccc12
InChIInChI=1S/C18H19ClN2O2/c1-11-15(19)8-7-13-12-5-4-6-14(17(12)20-16(11)13)18(22)23-10-9-21(2)3/h4-8,20H,9-10H2,1-3H3
InChIKeyOBXOZWCJWKXDFS-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.00
Rot. Bonds4

About 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate

2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate (PubChem CID 154123424) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate
PubChem CID154123424
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate
SMILESCc1c(Cl)ccc2c1[nH]c1c(C(=O)OCCN(C)C)cccc12
InChIInChI=1S/C18H19ClN2O2/c1-11-15(19)8-7-13-12-5-4-6-14(17(12)20-16(11)13)18(22)23-10-9-21(2)3/h4-8,20H,9-10H2,1-3H3
InChIKeyOBXOZWCJWKXDFS-UHFFFAOYSA-N
XLogP4.00
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate (CID 154123424) is 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate is Cc1c(Cl)ccc2c1[nH]c1c(C(=O)OCCN(C)C)cccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate?
The InChIKey is OBXOZWCJWKXDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11-15(19)8-7-13-12-5-4-6-14(17(12)20-16(11)13)18(22)23-10-9-21(2)3/h4-8,20H,9-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate?
2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate has a molecular weight of 330.82 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate is sourced from PubChem (CID 154123424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).