7-chloro-4H-1,4-benzoxazin-3-one

C8H6ClNO2 — CID 11830086

IUPAC7-chloro-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(Cl)ccc2N1
InChIInChI=1S/C8H6ClNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKeyQGHYYLMIQSZWAX-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.67
Rot. Bonds

About 7-chloro-4H-1,4-benzoxazin-3-one

7-chloro-4H-1,4-benzoxazin-3-one (PubChem CID 11830086) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 7-chloro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-chloro-4H-1,4-benzoxazin-3-one
PubChem CID11830086
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name7-chloro-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(Cl)ccc2N1
InChIInChI=1S/C8H6ClNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKeyQGHYYLMIQSZWAX-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4H-1,4-benzoxazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-chloro-4H-1,4-benzoxazin-3-one (CID 11830086) is 7-chloro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-chloro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-chloro-4H-1,4-benzoxazin-3-one is O=C1COc2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-4H-1,4-benzoxazin-3-one?
The InChIKey is QGHYYLMIQSZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11).
What are the key properties of 7-chloro-4H-1,4-benzoxazin-3-one?
7-chloro-4H-1,4-benzoxazin-3-one has a molecular weight of 183.59 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11830086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).