3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride

C20H25ClN2O2 — CID 138400906

IUPAC3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride
SMILESCCN(CC)CCCOC(=O)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-3-21(4-2)14-9-15-24-20(23)22-18-12-7-5-10-16(18)17-11-6-8-13-19(17)22;/h5-8,10-13H,3-4,9,14-15H2,1-2H3;1H
InChIKeyJVUWHIGJTFNRNT-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.93
Rot. Bonds6

About 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride

3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride (PubChem CID 138400906) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride
PubChem CID138400906
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride
SMILESCCN(CC)CCCOC(=O)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-3-21(4-2)14-9-15-24-20(23)22-18-12-7-5-10-16(18)17-11-6-8-13-19(17)22;/h5-8,10-13H,3-4,9,14-15H2,1-2H3;1H
InChIKeyJVUWHIGJTFNRNT-UHFFFAOYSA-N
XLogP4.93
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride?
The IUPAC name of 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride (CID 138400906) is 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride?
The canonical SMILES for 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride is CCN(CC)CCCOC(=O)n1c2ccccc2c2ccccc21.Cl.
What is the InChIKey of 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride?
The InChIKey is JVUWHIGJTFNRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-3-21(4-2)14-9-15-24-20(23)22-18-12-7-5-10-16(18)17-11-6-8-13-19(17)22;/h5-8,10-13H,3-4,9,14-15H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride?
3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride is sourced from PubChem (CID 138400906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).