(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C24H19Cl2NO2 — CID 31113969

IUPAC(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2NO2/c1-24(2)10-17-20(18(28)11-24)19(15-8-7-12(25)9-16(15)26)21-22(27-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,21H,10-11H2,1-2H3/t19-,21-/m0/s1
InChIKeyFLNHXIZNFPNIRI-FPOVZHCZSA-N
MW424.33 g/mol
LogP6.04
Rot. Bonds1

About (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione

(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 31113969) has the molecular formula C24H19Cl2NO2 and a molecular weight of 424.33 g/mol. Its IUPAC name is (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID31113969
Molecular FormulaC24H19Cl2NO2
Molecular Weight424.33 g/mol
Exact Mass423.08
IUPAC Name(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2NO2/c1-24(2)10-17-20(18(28)11-24)19(15-8-7-12(25)9-16(15)26)21-22(27-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,21H,10-11H2,1-2H3/t19-,21-/m0/s1
InChIKeyFLNHXIZNFPNIRI-FPOVZHCZSA-N
XLogP6.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 31113969) is (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1Cl.
What is the InChIKey of (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is FLNHXIZNFPNIRI-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H19Cl2NO2/c1-24(2)10-17-20(18(28)11-24)19(15-8-7-12(25)9-16(15)26)21-22(27-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,21H,10-11H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
(10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 424.33 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,10aS)-10-(2,4-dichlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 31113969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).