1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone

C19H29ClN2O2 — CID 42625686

IUPAC1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21
InChIInChI=1S/C19H29ClN2O2/c1-8-21(9-2)10-15(23)22-11-19(6,7)24-18-13(4)12(3)16(20)14(5)17(18)22/h8-11H2,1-7H3
InChIKeyJJQSXQVSWIFIND-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.11
Rot. Bonds4

About 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone

1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone (PubChem CID 42625686) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
PubChem CID42625686
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21
InChIInChI=1S/C19H29ClN2O2/c1-8-21(9-2)10-15(23)22-11-19(6,7)24-18-13(4)12(3)16(20)14(5)17(18)22/h8-11H2,1-7H3
InChIKeyJJQSXQVSWIFIND-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625343
2-(diethylamino)-1-(2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)ethanone
CID 42625685
ethyl 6-chloro-4-[2-(diethylamino)acetyl]-2,5,7,8-tetramethyl-3H-1,4-benzoxazine-2-carboxylate
CID 42625759
2-(Diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 42625350
1-(6-Chloro-5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
CID 42625431
1-[(2S)-6-chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(diethylamino)ethanone
CID 42625529
1-(6-Chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
CID 42625687
1-[(2R)-6-chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(diethylamino)ethanone
CID 42625762
6-chloro-2,2,5,7,8-pentamethyl-4H-1,4-benzoxazin-3-one
CID 42625263
6-chloro-5,7,8-trimethyl-4H-1,4-benzoxazin-3-one
CID 42625604
2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 138634453
2-Bromo-1-(6-chloro-5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 42625347

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone (CID 42625686) is 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone is CCN(CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21.
What is the InChIKey of 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone?
The InChIKey is JJQSXQVSWIFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-8-21(9-2)10-15(23)22-11-19(6,7)24-18-13(4)12(3)16(20)14(5)17(18)22/h8-11H2,1-7H3.
What are the key properties of 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone?
1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone has a molecular weight of 352.91 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone is sourced from PubChem (CID 42625686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).