11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine

C24H20F6N2 — CID 102220916

IUPAC11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine
SMILESFC(F)(F)c1ccc2c(c1)CCc1ncc(C(F)(F)F)cc1N2CCCc1ccccc1
InChIInChI=1S/C24H20F6N2/c25-23(26,27)18-9-11-21-17(13-18)8-10-20-22(14-19(15-31-20)24(28,29)30)32(21)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-15H,4,7-8,10,12H2
InChIKeyKORDLGVZSXFUPN-UHFFFAOYSA-N
MW450.43 g/mol
LogP6.99
Rot. Bonds4

About 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine

11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine (PubChem CID 102220916) has the molecular formula C24H20F6N2 and a molecular weight of 450.43 g/mol. Its IUPAC name is 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine.

Molecular Properties

Compound Name11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine
PubChem CID102220916
Molecular FormulaC24H20F6N2
Molecular Weight450.43 g/mol
Exact Mass450.15
IUPAC Name11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine
SMILESFC(F)(F)c1ccc2c(c1)CCc1ncc(C(F)(F)F)cc1N2CCCc1ccccc1
InChIInChI=1S/C24H20F6N2/c25-23(26,27)18-9-11-21-17(13-18)8-10-20-22(14-19(15-31-20)24(28,29)30)32(21)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-15H,4,7-8,10,12H2
InChIKeyKORDLGVZSXFUPN-UHFFFAOYSA-N
XLogP6.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.43
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine?
The IUPAC name of 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine (CID 102220916) is 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine.
What is the SMILES notation for 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine?
The canonical SMILES for 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine is FC(F)(F)c1ccc2c(c1)CCc1ncc(C(F)(F)F)cc1N2CCCc1ccccc1.
What is the InChIKey of 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine?
The InChIKey is KORDLGVZSXFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2/c25-23(26,27)18-9-11-21-17(13-18)8-10-20-22(14-19(15-31-20)24(28,29)30)32(21)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-15H,4,7-8,10,12H2.
What are the key properties of 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine?
11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine has a molecular weight of 450.43 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-phenylpropyl)-2,8-bis(trifluoromethyl)-5,6-dihydropyrido[3,2-b][1]benzazepine is sourced from PubChem (CID 102220916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).