ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate

C20H20ClNO3 — CID 24992445

IUPACethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3c(Cl)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H20ClNO3/c1-2-25-20(23)13-6-7-15-18(12-13)22(14-8-10-24-11-9-14)17-5-3-4-16(21)19(15)17/h3-7,12,14H,2,8-11H2,1H3
InChIKeyGGZLUVUWTJGZMO-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.98
Rot. Bonds3

About ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate

ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate (PubChem CID 24992445) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate
PubChem CID24992445
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Nameethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3c(Cl)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H20ClNO3/c1-2-25-20(23)13-6-7-15-18(12-13)22(14-8-10-24-11-9-14)17-5-3-4-16(21)19(15)17/h3-7,12,14H,2,8-11H2,1H3
InChIKeyGGZLUVUWTJGZMO-UHFFFAOYSA-N
XLogP4.98
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate?
The IUPAC name of ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate (CID 24992445) is ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate is CCOC(=O)c1ccc2c3c(Cl)cccc3n(C3CCOCC3)c2c1.
What is the InChIKey of ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate?
The InChIKey is GGZLUVUWTJGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-2-25-20(23)13-6-7-15-18(12-13)22(14-8-10-24-11-9-14)17-5-3-4-16(21)19(15)17/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate?
ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate has a molecular weight of 357.84 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate is sourced from PubChem (CID 24992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).