2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine

C19H20ClN5 — CID 118697800

IUPAC2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1N2CCc1nn[nH]n1
InChIInChI=1S/C19H20ClN5/c1-12-4-6-16-14(10-12)19(2,3)15-11-13(20)5-7-17(15)25(16)9-8-18-21-23-24-22-18/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23,24)
InChIKeyDZVLYMLXGQMAGE-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.18
Rot. Bonds3

About 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine

2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine (PubChem CID 118697800) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine.

Molecular Properties

Compound Name2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
PubChem CID118697800
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1N2CCc1nn[nH]n1
InChIInChI=1S/C19H20ClN5/c1-12-4-6-16-14(10-12)19(2,3)15-11-13(20)5-7-17(15)25(16)9-8-18-21-23-24-22-18/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23,24)
InChIKeyDZVLYMLXGQMAGE-UHFFFAOYSA-N
XLogP4.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine?
The IUPAC name of 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine (CID 118697800) is 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine.
What is the SMILES notation for 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine?
The canonical SMILES for 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine is Cc1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1N2CCc1nn[nH]n1.
What is the InChIKey of 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine?
The InChIKey is DZVLYMLXGQMAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-12-4-6-16-14(10-12)19(2,3)15-11-13(20)5-7-17(15)25(16)9-8-18-21-23-24-22-18/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23,24).
What are the key properties of 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine?
2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine has a molecular weight of 353.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,9,9-trimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine is sourced from PubChem (CID 118697800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).