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

C12H6ClNO3 — CID 774493

IUPAC7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cc(Cl)ccc12
InChIInChI=1S/C12H6ClNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H
InChIKeyKFCGQELQDCGMNW-UHFFFAOYSA-N
MW247.64 g/mol
LogP3.10
Rot. Bonds1

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

7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one (PubChem CID 774493) has the molecular formula C12H6ClNO3 and a molecular weight of 247.64 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one
PubChem CID774493
Molecular FormulaC12H6ClNO3
Molecular Weight247.64 g/mol
Exact Mass247.00
IUPAC Name7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cc(Cl)ccc12
InChIInChI=1S/C12H6ClNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H
InChIKeyKFCGQELQDCGMNW-UHFFFAOYSA-N
XLogP3.10
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-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-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one (CID 774493) is 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccco2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is KFCGQELQDCGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H.
What are the key properties of 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one has a molecular weight of 247.64 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 774493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).