7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one

C15H16ClNO — CID 53362205

IUPAC7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCC1(C)CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1
InChIInChI=1S/C15H16ClNO/c1-15(2)6-5-13-11(8-15)14(18)10-7-9(16)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyADNIWBSZPSWJLD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.70
Rot. Bonds

About 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one

7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one (PubChem CID 53362205) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
PubChem CID53362205
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCC1(C)CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1
InChIInChI=1S/C15H16ClNO/c1-15(2)6-5-13-11(8-15)14(18)10-7-9(16)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyADNIWBSZPSWJLD-UHFFFAOYSA-N
XLogP3.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one (CID 53362205) is 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one is CC1(C)CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1.
What is the InChIKey of 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The InChIKey is ADNIWBSZPSWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15(2)6-5-13-11(8-15)14(18)10-7-9(16)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one has a molecular weight of 261.75 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).