(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

C30H25NO3 — CID 51463498

IUPAC(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25NO3/c1-17-7-9-19(10-8-17)26-27-24(31-29-22-5-3-4-6-23(22)30(33)28(26)29)15-20(16-25(27)32)18-11-13-21(34-2)14-12-18/h3-14,20,26,31H,15-16H2,1-2H3/t20-,26-/m1/s1
InChIKeyODYMRBPZHOQQTA-FQRUVTKNSA-N
MW447.53 g/mol
LogP5.70
Rot. Bonds3

About (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 51463498) has the molecular formula C30H25NO3 and a molecular weight of 447.53 g/mol. Its IUPAC name is (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID51463498
Molecular FormulaC30H25NO3
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC Name(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25NO3/c1-17-7-9-19(10-8-17)26-27-24(31-29-22-5-3-4-6-23(22)30(33)28(26)29)15-20(16-25(27)32)18-11-13-21(34-2)14-12-18/h3-14,20,26,31H,15-16H2,1-2H3/t20-,26-/m1/s1
InChIKeyODYMRBPZHOQQTA-FQRUVTKNSA-N
XLogP5.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Related Compounds

12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1118844
benzyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1268671
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 999830
methyl (4R,7R)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1117605
benzyl (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1361284
methyl (4R,7S)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1158365
[4-[(10S)-9,11-dioxo-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-10-yl]phenyl] 3-methylbenzoate
CID 1326848
(6S,9R)-5-acetyl-6-(4-methoxyphenyl)-9-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1493090
(10S)-10-(3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 1167774
methyl 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2863309
propan-2-yl (4R,7R)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1361420

Frequently Asked Questions

What is the IUPAC name of (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 51463498) is (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1.
What is the InChIKey of (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is ODYMRBPZHOQQTA-FQRUVTKNSA-N. The full InChI is InChI=1S/C30H25NO3/c1-17-7-9-19(10-8-17)26-27-24(31-29-22-5-3-4-6-23(22)30(33)28(26)29)15-20(16-25(27)32)18-11-13-21(34-2)14-12-18/h3-14,20,26,31H,15-16H2,1-2H3/t20-,26-/m1/s1.
What are the key properties of (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 447.53 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 51463498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).