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

C25H23NO2 — CID 7064451

IUPAC(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccc([C@H]2C3=C(N=C4CC(C)(C)CC(=O)C42)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H23NO2/c1-14-8-10-15(11-9-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-6-4-5-7-17(16)24(28)22(20)23/h4-11,20-21H,12-13H2,1-3H3/t20-,21?/m1/s1
InChIKeyFYZNQYULINKAJI-VQCQRNETSA-N
MW369.46 g/mol
LogP5.15
Rot. Bonds1

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

(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 7064451) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID7064451
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccc([C@H]2C3=C(N=C4CC(C)(C)CC(=O)C42)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H23NO2/c1-14-8-10-15(11-9-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-6-4-5-7-17(16)24(28)22(20)23/h4-11,20-21H,12-13H2,1-3H3/t20-,21?/m1/s1
InChIKeyFYZNQYULINKAJI-VQCQRNETSA-N
XLogP5.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 7064451) is (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is Cc1ccc([C@H]2C3=C(N=C4CC(C)(C)CC(=O)C42)c2ccccc2C3=O)cc1.
What is the InChIKey of (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is FYZNQYULINKAJI-VQCQRNETSA-N. The full InChI is InChI=1S/C25H23NO2/c1-14-8-10-15(11-9-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-6-4-5-7-17(16)24(28)22(20)23/h4-11,20-21H,12-13H2,1-3H3/t20-,21?/m1/s1.
What are the key properties of (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 369.46 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 7064451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).