7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C27H27NO2 — CID 3152570

IUPAC7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C27H27NO2/c1-4-7-16-10-12-17(13-11-16)22-23-20(14-27(2,3)15-21(23)29)28-25-18-8-5-6-9-19(18)26(30)24(22)25/h5-6,8-13,22,28H,4,7,14-15H2,1-3H3
InChIKeyUXVJAUHVSGAZQX-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.58
Rot. Bonds3

About 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3152570) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3152570
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C27H27NO2/c1-4-7-16-10-12-17(13-11-16)22-23-20(14-27(2,3)15-21(23)29)28-25-18-8-5-6-9-19(18)26(30)24(22)25/h5-6,8-13,22,28H,4,7,14-15H2,1-3H3
InChIKeyUXVJAUHVSGAZQX-UHFFFAOYSA-N
XLogP5.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

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Related Compounds

4-hydroxy-3,3-dimethyl-2H-benzo[g]indole-2,5(3H)-dione
CID 6604934
10-(4-butylphenyl)-7,7-dimethyl-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3130893
4-Methyl-1H-indeno[1,2-b]pyridine-2,5-dione
CID 457731
3-Isopropyl-4-(phenylamino)naphthalene-1,2-dione
CID 44409841
7,7-Dimethyl-10-(4-chlorophenyl)-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione
CID 3430314
3-nitro-2-methyl-4-phenyl-1,4-dihydro-5H-indeno[1,2-b]pyridin-5-one
CID 3554733
10-(4-bromophenyl)-7,7-dimethyl-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3894686
7,7-Dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 10914479
5-[4-(propan-2-yl)phenyl]-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
CID 24217622
5-(3,4-dimethylphenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
CID 24217625
3-Butanoyl-2,7,7-trimethyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731798
2,7,7-Trimethyl-3-pentanoyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731799

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3152570) is 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is UXVJAUHVSGAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-4-7-16-10-12-17(13-11-16)22-23-20(14-27(2,3)15-21(23)29)28-25-18-8-5-6-9-19(18)26(30)24(22)25/h5-6,8-13,22,28H,4,7,14-15H2,1-3H3.
What are the key properties of 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 397.52 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-10-(4-propylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3152570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).