5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

C28H29NO2 — CID 2828497

IUPAC5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C28H29NO2/c1-4-5-15-29-21-16-28(2,3)17-22(30)24(21)23(18-11-7-6-8-12-18)25-26(29)19-13-9-10-14-20(19)27(25)31/h6-14,23H,4-5,15-17H2,1-3H3
InChIKeyDOUSGGFJFBCVNW-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.14
Rot. Bonds4

About 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 2828497) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID2828497
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C28H29NO2/c1-4-5-15-29-21-16-28(2,3)17-22(30)24(21)23(18-11-7-6-8-12-18)25-26(29)19-13-9-10-14-20(19)27(25)31/h6-14,23H,4-5,15-17H2,1-3H3
InChIKeyDOUSGGFJFBCVNW-UHFFFAOYSA-N
XLogP6.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 2828497) is 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is CCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1c1ccccc1C2=O.
What is the InChIKey of 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is DOUSGGFJFBCVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-4-5-15-29-21-16-28(2,3)17-22(30)24(21)23(18-11-7-6-8-12-18)25-26(29)19-13-9-10-14-20(19)27(25)31/h6-14,23H,4-5,15-17H2,1-3H3.
What are the key properties of 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 411.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7,7-dimethyl-10-phenyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2828497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).