cinnoline;10H-phenoxazine

C20H15N3O — CID 161343280

IUPACcinnoline;10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccccc1O2.c1ccc2nnccc2c1
InChIInChI=1S/C12H9NO.C8H6N2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8,13H;1-6H
InChIKeyVMYOCTLEHYXJRH-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.17
Rot. Bonds

About cinnoline;10H-phenoxazine

cinnoline;10H-phenoxazine (PubChem CID 161343280) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is cinnoline;10H-phenoxazine.

Molecular Properties

Compound Namecinnoline;10H-phenoxazine
PubChem CID161343280
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Namecinnoline;10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccccc1O2.c1ccc2nnccc2c1
InChIInChI=1S/C12H9NO.C8H6N2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8,13H;1-6H
InChIKeyVMYOCTLEHYXJRH-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenoxycinnoline
CID 21991035
1-Methyl-4-phenoxycinnolin-1-ium iodide
CID 86018690
2-Methyl-4-phenoxycinnolin-2-ium iodide
CID 134914615
10-[4-(5,6,7,8,9,10-Hexahydrocycloocta[d]pyridazin-4-yl)phenyl]phenoxazine
CID 168331078
2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide
CID 20887715
2-Cinnolin-4-yloxy-4-fluoroaniline
CID 63587126
2-Cinnolin-4-yloxy-5-fluoroaniline
CID 63588273
2-Cinnolin-4-yloxy-3-fluoroaniline
CID 104832200
10-[3,5-Di(pyridazin-3-yl)phenyl]phenoxazine
CID 58251188
10-[3,5-Di(pyridazin-4-yl)phenyl]phenoxazine
CID 58251195
N-[4-[4-(cinnolin-4-ylamino)phenoxy]phenyl]cinnolin-4-amine
CID 68004299
N-(2-phenoxyphenyl)quinolin-4-amine
CID 77844681

Frequently Asked Questions

What is the IUPAC name of cinnoline;10H-phenoxazine?
The IUPAC name of cinnoline;10H-phenoxazine (CID 161343280) is cinnoline;10H-phenoxazine.
What is the SMILES notation for cinnoline;10H-phenoxazine?
The canonical SMILES for cinnoline;10H-phenoxazine is c1ccc2c(c1)Nc1ccccc1O2.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;10H-phenoxazine?
The InChIKey is VMYOCTLEHYXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C8H6N2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8,13H;1-6H.
What are the key properties of cinnoline;10H-phenoxazine?
cinnoline;10H-phenoxazine has a molecular weight of 313.36 g/mol, XLogP of 5.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;10H-phenoxazine is sourced from PubChem (CID 161343280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).