2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine

C18H19ClN6 — CID 118697840

IUPAC2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine
SMILESCc1ccc2c(c1)C(C)(N)c1cc(Cl)ccc1N2CCc1nn[nH]n1
InChIInChI=1S/C18H19ClN6/c1-11-3-5-15-13(9-11)18(2,20)14-10-12(19)4-6-16(14)25(15)8-7-17-21-23-24-22-17/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,22,23,24)
InChIKeyOXPAFWYBMZUFOO-UHFFFAOYSA-N
MW354.85 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine

2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine (PubChem CID 118697840) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine.

Molecular Properties

Compound Name2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine
PubChem CID118697840
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine
SMILESCc1ccc2c(c1)C(C)(N)c1cc(Cl)ccc1N2CCc1nn[nH]n1
InChIInChI=1S/C18H19ClN6/c1-11-3-5-15-13(9-11)18(2,20)14-10-12(19)4-6-16(14)25(15)8-7-17-21-23-24-22-17/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,22,23,24)
InChIKeyOXPAFWYBMZUFOO-UHFFFAOYSA-N
XLogP3.08
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine?
The IUPAC name of 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine (CID 118697840) is 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine.
What is the SMILES notation for 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine?
The canonical SMILES for 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine is Cc1ccc2c(c1)C(C)(N)c1cc(Cl)ccc1N2CCc1nn[nH]n1.
What is the InChIKey of 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine?
The InChIKey is OXPAFWYBMZUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c1-11-3-5-15-13(9-11)18(2,20)14-10-12(19)4-6-16(14)25(15)8-7-17-21-23-24-22-17/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine?
2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine has a molecular weight of 354.85 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridin-9-amine is sourced from PubChem (CID 118697840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).