5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone

C30H21FN2O — CID 2322476

IUPAC5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C30H21FN2O/c31-23-17-15-20(16-18-23)27-19-25(24-9-3-4-10-26(24)32-27)30(34)33-28-11-5-1-7-21(28)13-14-22-8-2-6-12-29(22)33/h1-12,15-19H,13-14H2
InChIKeyOXQOOCJDPWAENO-UHFFFAOYSA-N
MW444.51 g/mol
LogP7.12
Rot. Bonds2

About 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone

5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone (PubChem CID 2322476) has the molecular formula C30H21FN2O and a molecular weight of 444.51 g/mol. Its IUPAC name is 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone
PubChem CID2322476
Molecular FormulaC30H21FN2O
Molecular Weight444.51 g/mol
Exact Mass444.16
IUPAC Name5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C30H21FN2O/c31-23-17-15-20(16-18-23)27-19-25(24-9-3-4-10-26(24)32-27)30(34)33-28-11-5-1-7-21(28)13-14-22-8-2-6-12-29(22)33/h1-12,15-19H,13-14H2
InChIKeyOXQOOCJDPWAENO-UHFFFAOYSA-N
XLogP7.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

(8aS)-7-[2-(4-fluorophenyl)quinoline-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126452583
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The IUPAC name of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone (CID 2322476) is 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone.
What is the SMILES notation for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The canonical SMILES for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The InChIKey is OXQOOCJDPWAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN2O/c31-23-17-15-20(16-18-23)27-19-25(24-9-3-4-10-26(24)32-27)30(34)33-28-11-5-1-7-21(28)13-14-22-8-2-6-12-29(22)33/h1-12,15-19H,13-14H2.
What are the key properties of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone has a molecular weight of 444.51 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 2322476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).