11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one

C22H19Cl2N3O — CID 164576302

IUPAC11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]ncc3c1C2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O/c1-22(2)8-17-21(18(28)9-22)19(11-5-12(23)7-13(24)6-11)20-14-10-25-27-15(14)3-4-16(20)26-17/h3-7,10,19,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyZGFNEVJVNXQTGQ-UHFFFAOYSA-N
MW412.32 g/mol
LogP6.07
Rot. Bonds1

About 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one

11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one (PubChem CID 164576302) has the molecular formula C22H19Cl2N3O and a molecular weight of 412.32 g/mol. Its IUPAC name is 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one.

Molecular Properties

Compound Name11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
PubChem CID164576302
Molecular FormulaC22H19Cl2N3O
Molecular Weight412.32 g/mol
Exact Mass411.09
IUPAC Name11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]ncc3c1C2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O/c1-22(2)8-17-21(18(28)9-22)19(11-5-12(23)7-13(24)6-11)20-14-10-25-27-15(14)3-4-16(20)26-17/h3-7,10,19,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyZGFNEVJVNXQTGQ-UHFFFAOYSA-N
XLogP6.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one with MolForge

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Related Compounds

11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one
CID 140930928
16-(3-bromophenyl)-4,5,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),3,7,11(15)-pentaen-14-one
CID 139214968
12-(5-chloro-2-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 145288371
12-(6-bromo-3-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 140930926
11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 177498923
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
(5S)-5-(3-chlorophenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 7248128
(12S)-12-(3,4-dimethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1265819
12-[4-(hydroxymethyl)phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269525
(12S)-12-(2-chlorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1283034
9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930947
9,9-dimethyl-12-(3-nitrophenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 4583101

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The IUPAC name of 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one (CID 164576302) is 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one.
What is the SMILES notation for 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The canonical SMILES for 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one is CC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]ncc3c1C2c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The InChIKey is ZGFNEVJVNXQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O/c1-22(2)8-17-21(18(28)9-22)19(11-5-12(23)7-13(24)6-11)20-14-10-25-27-15(14)3-4-16(20)26-17/h3-7,10,19,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one has a molecular weight of 412.32 g/mol, XLogP of 6.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one is sourced from PubChem (CID 164576302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).