4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine

C17H16Cl2N2O — CID 757828

IUPAC4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1
InChIInChI=1S/C17H16Cl2N2O/c18-12-1-3-16-14(9-12)15-10-13(19)2-4-17(15)21(16)11-20-5-7-22-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeyRDTNUOVFSGNLIP-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.39
Rot. Bonds2

About 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine

4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine (PubChem CID 757828) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine
PubChem CID757828
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1
InChIInChI=1S/C17H16Cl2N2O/c18-12-1-3-16-14(9-12)15-10-13(19)2-4-17(15)21(16)11-20-5-7-22-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeyRDTNUOVFSGNLIP-UHFFFAOYSA-N
XLogP4.39
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine?
The IUPAC name of 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine (CID 757828) is 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine?
The canonical SMILES for 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine is Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1.
What is the InChIKey of 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine?
The InChIKey is RDTNUOVFSGNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-12-1-3-16-14(9-12)15-10-13(19)2-4-17(15)21(16)11-20-5-7-22-8-6-20/h1-4,9-10H,5-8,11H2.
What are the key properties of 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine?
4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine has a molecular weight of 335.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichlorocarbazol-9-yl)methyl]morpholine is sourced from PubChem (CID 757828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).