1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate

C21H25ClN2O2 — CID 68796215

IUPAC1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
SMILESCCN(CC)C(C)OC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C21H25ClN2O2/c1-5-24(6-2)14(4)26-21(25)13(3)15-7-9-17-18-12-16(22)8-10-19(18)23-20(17)11-15/h7-14,23H,5-6H2,1-4H3
InChIKeySGCDVGBJYRGQGV-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.31
Rot. Bonds6

About 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate

1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate (PubChem CID 68796215) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
PubChem CID68796215
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
SMILESCCN(CC)C(C)OC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C21H25ClN2O2/c1-5-24(6-2)14(4)26-21(25)13(3)15-7-9-17-18-12-16(22)8-10-19(18)23-20(17)11-15/h7-14,23H,5-6H2,1-4H3
InChIKeySGCDVGBJYRGQGV-UHFFFAOYSA-N
XLogP5.31
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate?
The IUPAC name of 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate (CID 68796215) is 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate.
What is the SMILES notation for 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate?
The canonical SMILES for 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate is CCN(CC)C(C)OC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate?
The InChIKey is SGCDVGBJYRGQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-5-24(6-2)14(4)26-21(25)13(3)15-7-9-17-18-12-16(22)8-10-19(18)23-20(17)11-15/h7-14,23H,5-6H2,1-4H3.
What are the key properties of 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate?
1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate has a molecular weight of 372.90 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate is sourced from PubChem (CID 68796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).