6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione

C15H10ClNO4 — CID 54011991

IUPAC6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(-n2c(=O)oc(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C15H10ClNO4/c1-20-11-5-3-10(4-6-11)17-13-7-2-9(16)8-12(13)14(18)21-15(17)19/h2-8H,1H3
InChIKeyKSZRHGAIYFBIGA-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.61
Rot. Bonds2

About 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione

6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione (PubChem CID 54011991) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione
PubChem CID54011991
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(-n2c(=O)oc(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C15H10ClNO4/c1-20-11-5-3-10(4-6-11)17-13-7-2-9(16)8-12(13)14(18)21-15(17)19/h2-8H,1H3
InChIKeyKSZRHGAIYFBIGA-UHFFFAOYSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione (CID 54011991) is 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione is COc1ccc(-n2c(=O)oc(=O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is KSZRHGAIYFBIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-20-11-5-3-10(4-6-11)17-13-7-2-9(16)8-12(13)14(18)21-15(17)19/h2-8H,1H3.
What are the key properties of 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione?
6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 303.70 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-methoxyphenyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 54011991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).