9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine

C20H15ClN4 — CID 10665298

IUPAC9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine
SMILESCN1c2ccccc2C(n2nnc3cc(Cl)ccc32)c2ccccc21
InChIInChI=1S/C20H15ClN4/c1-24-17-8-4-2-6-14(17)20(15-7-3-5-9-18(15)24)25-19-11-10-13(21)12-16(19)22-23-25/h2-12,20H,1H3
InChIKeyOCNLWJYVPYCTDA-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.80
Rot. Bonds1

About 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine

9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine (PubChem CID 10665298) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine.

Molecular Properties

Compound Name9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine
PubChem CID10665298
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine
SMILESCN1c2ccccc2C(n2nnc3cc(Cl)ccc32)c2ccccc21
InChIInChI=1S/C20H15ClN4/c1-24-17-8-4-2-6-14(17)20(15-7-3-5-9-18(15)24)25-19-11-10-13(21)12-16(19)22-23-25/h2-12,20H,1H3
InChIKeyOCNLWJYVPYCTDA-UHFFFAOYSA-N
XLogP4.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine?
The IUPAC name of 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine (CID 10665298) is 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine.
What is the SMILES notation for 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine?
The canonical SMILES for 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine is CN1c2ccccc2C(n2nnc3cc(Cl)ccc32)c2ccccc21.
What is the InChIKey of 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine?
The InChIKey is OCNLWJYVPYCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c1-24-17-8-4-2-6-14(17)20(15-7-3-5-9-18(15)24)25-19-11-10-13(21)12-16(19)22-23-25/h2-12,20H,1H3.
What are the key properties of 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine?
9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine has a molecular weight of 346.82 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chlorobenzotriazol-1-yl)-10-methyl-9H-acridine is sourced from PubChem (CID 10665298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).