(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone

C20H13Cl2NO3 — CID 53310138

IUPAC(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H13Cl2NO3/c1-25-15-6-2-12(3-7-15)20(24)23-16-10-13(21)4-8-18(16)26-19-9-5-14(22)11-17(19)23/h2-11H,1H3
InChIKeyNPIIVPQYZINMLB-UHFFFAOYSA-N
MW386.23 g/mol
LogP6.09
Rot. Bonds2

About (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone

(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone (PubChem CID 53310138) has the molecular formula C20H13Cl2NO3 and a molecular weight of 386.23 g/mol. Its IUPAC name is (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
PubChem CID53310138
Molecular FormulaC20H13Cl2NO3
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H13Cl2NO3/c1-25-15-6-2-12(3-7-15)20(24)23-16-10-13(21)4-8-18(16)26-19-9-5-14(22)11-17(19)23/h2-11H,1H3
InChIKeyNPIIVPQYZINMLB-UHFFFAOYSA-N
XLogP6.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone (CID 53310138) is (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)cc1.
What is the InChIKey of (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The InChIKey is NPIIVPQYZINMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3/c1-25-15-6-2-12(3-7-15)20(24)23-16-10-13(21)4-8-18(16)26-19-9-5-14(22)11-17(19)23/h2-11H,1H3.
What are the key properties of (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
(2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone has a molecular weight of 386.23 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53310138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).