diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate

C26H28N4O4 — CID 54753600

IUPACdiethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate
SMILESCCOC(=O)C1(C#N)Cc2ccc3ccc4c(c3c2N(C)C1)N(C)CC(C#N)(C(=O)OCC)C4
InChIInChI=1S/C26H28N4O4/c1-5-33-23(31)25(13-27)11-18-9-7-17-8-10-19-12-26(14-28,24(32)34-6-2)16-30(4)22(19)20(17)21(18)29(3)15-25/h7-10H,5-6,11-12,15-16H2,1-4H3
InChIKeySVUINFFISOMCSE-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.97
Rot. Bonds4

About diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate

diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate (PubChem CID 54753600) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate
PubChem CID54753600
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namediethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate
SMILESCCOC(=O)C1(C#N)Cc2ccc3ccc4c(c3c2N(C)C1)N(C)CC(C#N)(C(=O)OCC)C4
InChIInChI=1S/C26H28N4O4/c1-5-33-23(31)25(13-27)11-18-9-7-17-8-10-19-12-26(14-28,24(32)34-6-2)16-30(4)22(19)20(17)21(18)29(3)15-25/h7-10H,5-6,11-12,15-16H2,1-4H3
InChIKeySVUINFFISOMCSE-UHFFFAOYSA-N
XLogP2.97
TPSA106.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate?
The IUPAC name of diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate (CID 54753600) is diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate.
What is the SMILES notation for diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate?
The canonical SMILES for diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate is CCOC(=O)C1(C#N)Cc2ccc3ccc4c(c3c2N(C)C1)N(C)CC(C#N)(C(=O)OCC)C4.
What is the InChIKey of diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate?
The InChIKey is SVUINFFISOMCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-5-33-23(31)25(13-27)11-18-9-7-17-8-10-19-12-26(14-28,24(32)34-6-2)16-30(4)22(19)20(17)21(18)29(3)15-25/h7-10H,5-6,11-12,15-16H2,1-4H3.
What are the key properties of diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate?
diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate has a molecular weight of 460.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,10-dicyano-1,12-dimethyl-2,4,9,11-tetrahydroquinolino[7,8-h]quinoline-3,10-dicarboxylate is sourced from PubChem (CID 54753600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).