7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine

C11H14ClNO — CID 45198859

IUPAC7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1CN(C)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-8-6-13(2)7-9-5-10(12)3-4-11(9)14-8/h3-5,8H,6-7H2,1-2H3
InChIKeyQUDKNYKJECPHQF-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.55
Rot. Bonds

About 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine

7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 45198859) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID45198859
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1CN(C)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-8-6-13(2)7-9-5-10(12)3-4-11(9)14-8/h3-5,8H,6-7H2,1-2H3
InChIKeyQUDKNYKJECPHQF-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoic acid
CID 51659844
7-chloro-4-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 45227817
7-chloro-2-methyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 126466365
N-[5-[(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]thiophen-2-yl]acetamide
CID 45238125
7-chloro-2-methyl-4-(quinolin-6-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 45199873
(2S)-2-[[2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]-3-methylbutanamide
CID 45169907
3-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 45174839
(2S)-6-chloro-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95991012
3-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 42235988
methyl (2S)-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate
CID 122466637
2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
CID 126462789
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45165593

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine (CID 45198859) is 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine is CC1CN(C)Cc2cc(Cl)ccc2O1.
What is the InChIKey of 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is QUDKNYKJECPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-6-13(2)7-9-5-10(12)3-4-11(9)14-8/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine?
7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 211.69 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 45198859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).