6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine

C16H13Cl2NO — CID 91740481

IUPAC6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccccc2Cl)=Nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2NO/c1-2-15-12-9-10(17)7-8-14(12)19-16(20-15)11-5-3-4-6-13(11)18/h3-9,15H,2H2,1H3
InChIKeyKWOAATMQCLJICP-UHFFFAOYSA-N
MW306.19 g/mol
LogP5.55
Rot. Bonds2

About 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine

6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine (PubChem CID 91740481) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine
PubChem CID91740481
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccccc2Cl)=Nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2NO/c1-2-15-12-9-10(17)7-8-14(12)19-16(20-15)11-5-3-4-6-13(11)18/h3-9,15H,2H2,1H3
InChIKeyKWOAATMQCLJICP-UHFFFAOYSA-N
XLogP5.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine?
The IUPAC name of 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine (CID 91740481) is 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine.
What is the SMILES notation for 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine?
The canonical SMILES for 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine is CCC1OC(c2ccccc2Cl)=Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine?
The InChIKey is KWOAATMQCLJICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-2-15-12-9-10(17)7-8-14(12)19-16(20-15)11-5-3-4-6-13(11)18/h3-9,15H,2H2,1H3.
What are the key properties of 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine?
6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine has a molecular weight of 306.19 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine is sourced from PubChem (CID 91740481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).