(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone

C20H14ClNO3 — CID 53262874

IUPAC(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H14ClNO3/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
InChIKeyZRKYSTMNLJOHQT-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.43
Rot. Bonds2

About (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone

(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone (PubChem CID 53262874) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
PubChem CID53262874
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H14ClNO3/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
InChIKeyZRKYSTMNLJOHQT-UHFFFAOYSA-N
XLogP5.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone (CID 53262874) is (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1.
What is the InChIKey of (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZRKYSTMNLJOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3.
What are the key properties of (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone?
(2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone has a molecular weight of 351.79 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53262874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).