7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

C15H10ClNO3 — CID 10016936

IUPAC7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1
InChIInChI=1S/C15H10ClNO3/c1-19-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(18)20-14/h2-8H,1H3
InChIKeyPKKDUVVKHDAFOC-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.52
Rot. Bonds2

About 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 10016936) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID10016936
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1
InChIInChI=1S/C15H10ClNO3/c1-19-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(18)20-14/h2-8H,1H3
InChIKeyPKKDUVVKHDAFOC-UHFFFAOYSA-N
XLogP3.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (CID 10016936) is 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is COc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1.
What is the InChIKey of 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is PKKDUVVKHDAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-19-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(18)20-14/h2-8H,1H3.
What are the key properties of 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 287.70 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 10016936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).