7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

C20H22N2O — CID 90694668

IUPAC7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCC1=Nc2cc(-c3ccc4c(c3)CNCCO4)ccc2CCC1
InChIInChI=1S/C20H22N2O/c1-14-3-2-4-15-5-6-17(12-19(15)22-14)16-7-8-20-18(11-16)13-21-9-10-23-20/h5-8,11-12,21H,2-4,9-10,13H2,1H3
InChIKeyAPAGDAJORJKSRS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.26
Rot. Bonds1

About 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 90694668) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID90694668
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCC1=Nc2cc(-c3ccc4c(c3)CNCCO4)ccc2CCC1
InChIInChI=1S/C20H22N2O/c1-14-3-2-4-15-5-6-17(12-19(15)22-14)16-7-8-20-18(11-16)13-21-9-10-23-20/h5-8,11-12,21H,2-4,9-10,13H2,1H3
InChIKeyAPAGDAJORJKSRS-UHFFFAOYSA-N
XLogP4.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine with MolForge

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Related Compounds

7-[4-(1-methylimidazol-2-yl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 91270962
8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 20706175
7-(6-methyl-5-methylsulfonyl-3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 91368714
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ol;hydrochloride
CID 122164454
7-(2-propan-2-yl-3H-benzimidazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 173110812
methyl 4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoate;hydrochloride
CID 66820482
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
7-[3-(difluoromethoxy)-4-methoxyphenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
CID 67616829
11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene
CID 51353844
2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide
CID 67813899
7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
CID 20706180
7-(pyrrolidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 86820604

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 90694668) is 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine is CC1=Nc2cc(-c3ccc4c(c3)CNCCO4)ccc2CCC1.
What is the InChIKey of 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is APAGDAJORJKSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-3-2-4-15-5-6-17(12-19(15)22-14)16-7-8-20-18(11-16)13-21-9-10-23-20/h5-8,11-12,21H,2-4,9-10,13H2,1H3.
What are the key properties of 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 306.41 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 90694668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).