6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one

C12H14ClNO2 — CID 82231832

IUPAC6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one
SMILESCc1cc2c(c(C)c1Cl)N(C)C(=O)C(C)O2
InChIInChI=1S/C12H14ClNO2/c1-6-5-9-11(7(2)10(6)13)14(4)12(15)8(3)16-9/h5,8H,1-4H3
InChIKeyBXUDBYVINWGTBW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.70
Rot. Bonds

About 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one

6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one (PubChem CID 82231832) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one
PubChem CID82231832
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one
SMILESCc1cc2c(c(C)c1Cl)N(C)C(=O)C(C)O2
InChIInChI=1S/C12H14ClNO2/c1-6-5-9-11(7(2)10(6)13)14(4)12(15)8(3)16-9/h5,8H,1-4H3
InChIKeyBXUDBYVINWGTBW-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-1,4-benzoxazin-3-one
CID 83753043
7-bromo-2,5,6,8-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82234066
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
2,4-dimethyl-6-(oxiran-2-yl)-1,4-benzoxazin-3-one
CID 82472319
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057
N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682965
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
2,4-dimethyl-7-piperazin-1-yl-1,4-benzoxazin-3-one
CID 116995017
9-amino-7-chloro-3,5,6,8-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233422
(2R)-6-chloro-2,4-dimethyl-8-nitro-1,4-benzoxazin-3-one
CID 58651139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one (CID 82231832) is 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one is Cc1cc2c(c(C)c1Cl)N(C)C(=O)C(C)O2.
What is the InChIKey of 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one?
The InChIKey is BXUDBYVINWGTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-6-5-9-11(7(2)10(6)13)14(4)12(15)8(3)16-9/h5,8H,1-4H3.
What are the key properties of 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one?
6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one has a molecular weight of 239.70 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4,5,7-tetramethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82231832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).