7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one

C18H10Cl2N2O4 — CID 18432309

IUPAC7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(CCc2nc3cc(Cl)ccc3c(=O)o2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H10Cl2N2O4/c19-9-1-3-11-13(7-9)21-15(25-17(11)23)5-6-16-22-14-8-10(20)2-4-12(14)18(24)26-16/h1-4,7-8H,5-6H2
InChIKeyVLEWNWSGQHZKBV-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.78
Rot. Bonds3

About 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one

7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one (PubChem CID 18432309) has the molecular formula C18H10Cl2N2O4 and a molecular weight of 389.19 g/mol. Its IUPAC name is 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one
PubChem CID18432309
Molecular FormulaC18H10Cl2N2O4
Molecular Weight389.19 g/mol
Exact Mass388.00
IUPAC Name7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(CCc2nc3cc(Cl)ccc3c(=O)o2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H10Cl2N2O4/c19-9-1-3-11-13(7-9)21-15(25-17(11)23)5-6-16-22-14-8-10(20)2-4-12(14)18(24)26-16/h1-4,7-8H,5-6H2
InChIKeyVLEWNWSGQHZKBV-UHFFFAOYSA-N
XLogP3.78
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one?
The IUPAC name of 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one (CID 18432309) is 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one is O=c1oc(CCc2nc3cc(Cl)ccc3c(=O)o2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one?
The InChIKey is VLEWNWSGQHZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O4/c19-9-1-3-11-13(7-9)21-15(25-17(11)23)5-6-16-22-14-8-10(20)2-4-12(14)18(24)26-16/h1-4,7-8H,5-6H2.
What are the key properties of 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one?
7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one has a molecular weight of 389.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 18432309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).