7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one

C21H18ClNO — CID 11382092

IUPAC7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one
SMILESCC1(C)CC(=O)c2c(nc3ccc(Cl)cc3c2-c2ccccc2)C1
InChIInChI=1S/C21H18ClNO/c1-21(2)11-17-20(18(24)12-21)19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-17/h3-10H,11-12H2,1-2H3
InChIKeyQSSVASUDWSXNEV-UHFFFAOYSA-N
MW335.83 g/mol
LogP5.71
Rot. Bonds1

About 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one

7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one (PubChem CID 11382092) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one
PubChem CID11382092
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one
SMILESCC1(C)CC(=O)c2c(nc3ccc(Cl)cc3c2-c2ccccc2)C1
InChIInChI=1S/C21H18ClNO/c1-21(2)11-17-20(18(24)12-21)19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-17/h3-10H,11-12H2,1-2H3
InChIKeyQSSVASUDWSXNEV-UHFFFAOYSA-N
XLogP5.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one?
The IUPAC name of 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one (CID 11382092) is 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one.
What is the SMILES notation for 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one?
The canonical SMILES for 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one is CC1(C)CC(=O)c2c(nc3ccc(Cl)cc3c2-c2ccccc2)C1.
What is the InChIKey of 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one?
The InChIKey is QSSVASUDWSXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-21(2)11-17-20(18(24)12-21)19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one?
7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one has a molecular weight of 335.83 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-9-phenyl-2,4-dihydroacridin-1-one is sourced from PubChem (CID 11382092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).