6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one

C32H26N2O4 — CID 138969676

IUPAC6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one
SMILESCOc1cc(C2C(=O)c3ccccc3Nc3c2c(-c2ccccc2)nc2ccccc32)cc(OC)c1OC
InChIInChI=1S/C32H26N2O4/c1-36-25-17-20(18-26(37-2)32(25)38-3)27-28-29(19-11-5-4-6-12-19)33-23-15-9-7-13-21(23)30(28)34-24-16-10-8-14-22(24)31(27)35/h4-18,27,34H,1-3H3
InChIKeyBLYZHFNZTTXAFZ-UHFFFAOYSA-N
MW502.57 g/mol
LogP7.00
Rot. Bonds5

About 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one

6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one (PubChem CID 138969676) has the molecular formula C32H26N2O4 and a molecular weight of 502.57 g/mol. Its IUPAC name is 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one.

Molecular Properties

Compound Name6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one
PubChem CID138969676
Molecular FormulaC32H26N2O4
Molecular Weight502.57 g/mol
Exact Mass502.19
IUPAC Name6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one
SMILESCOc1cc(C2C(=O)c3ccccc3Nc3c2c(-c2ccccc2)nc2ccccc32)cc(OC)c1OC
InChIInChI=1S/C32H26N2O4/c1-36-25-17-20(18-26(37-2)32(25)38-3)27-28-29(19-11-5-4-6-12-19)33-23-15-9-7-13-21(23)30(28)34-24-16-10-8-14-22(24)31(27)35/h4-18,27,34H,1-3H3
InChIKeyBLYZHFNZTTXAFZ-UHFFFAOYSA-N
XLogP7.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one?
The IUPAC name of 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one (CID 138969676) is 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one.
What is the SMILES notation for 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one?
The canonical SMILES for 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one is COc1cc(C2C(=O)c3ccccc3Nc3c2c(-c2ccccc2)nc2ccccc32)cc(OC)c1OC.
What is the InChIKey of 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one?
The InChIKey is BLYZHFNZTTXAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4/c1-36-25-17-20(18-26(37-2)32(25)38-3)27-28-29(19-11-5-4-6-12-19)33-23-15-9-7-13-21(23)30(28)34-24-16-10-8-14-22(24)31(27)35/h4-18,27,34H,1-3H3.
What are the key properties of 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one?
6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one has a molecular weight of 502.57 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one is sourced from PubChem (CID 138969676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).