4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine

C26H20N4O — CID 57389176

IUPAC4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(N3CCOc4ccc(-c5ccc6nccnc6c5)cc4C3)ccnc2c1
InChIInChI=1S/C26H20N4O/c1-2-4-22-21(3-1)25(9-10-27-22)30-13-14-31-26-8-6-18(15-20(26)17-30)19-5-7-23-24(16-19)29-12-11-28-23/h1-12,15-16H,13-14,17H2
InChIKeyFCBYKZGVXWNVRL-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.24
Rot. Bonds2

About 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine

4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 57389176) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID57389176
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(N3CCOc4ccc(-c5ccc6nccnc6c5)cc4C3)ccnc2c1
InChIInChI=1S/C26H20N4O/c1-2-4-22-21(3-1)25(9-10-27-22)30-13-14-31-26-8-6-18(15-20(26)17-30)19-5-7-23-24(16-19)29-12-11-28-23/h1-12,15-16H,13-14,17H2
InChIKeyFCBYKZGVXWNVRL-UHFFFAOYSA-N
XLogP5.24
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine with MolForge

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Launch Full Analysis

Related Compounds

7-(3H-benzimidazol-5-yl)-4-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586649
methyl N-[3-methyl-6-(4-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1H-benzimidazol-3-ium-2-yl]carbamate
CID 123777109
4-[4-(6,7-dimethoxyquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-nitroaniline
CID 66820277
6-[4-(2-phenylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine
CID 59586312
7-(2-methyl-3H-benzimidazol-5-yl)-4-(5-phenylpyrimidin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 123389979
6-triphenylen-2-ylquinoxaline
CID 118490639
4-(1-quinolin-4-ylazetidin-3-yl)morpholine
CID 175649050
1-quinolin-4-ylpiperidin-4-one
CID 22000285
N'-hydroxy-4-quinolin-4-ylmorpholine-2-carboximidamide
CID 79681427
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 63192955
benzyl-[6-[4-(6-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
CID 68774933

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine (CID 57389176) is 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine is c1ccc2c(N3CCOc4ccc(-c5ccc6nccnc6c5)cc4C3)ccnc2c1.
What is the InChIKey of 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is FCBYKZGVXWNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c1-2-4-22-21(3-1)25(9-10-27-22)30-13-14-31-26-8-6-18(15-20(26)17-30)19-5-7-23-24(16-19)29-12-11-28-23/h1-12,15-16H,13-14,17H2.
What are the key properties of 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine?
4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 404.47 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 57389176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).