10H-phenoxazine;phthalazine

C20H15N3O — CID 158383032

IUPAC10H-phenoxazine;phthalazine
SMILESc1ccc2c(c1)Nc1ccccc1O2.c1ccc2cnncc2c1
InChIInChI=1S/C12H9NO.C8H6N2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-8-6-10-9-5-7(8)3-1/h1-8,13H;1-6H
InChIKeyGWAJXUBFIUEKJK-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.17
Rot. Bonds

About 10H-phenoxazine;phthalazine

10H-phenoxazine;phthalazine (PubChem CID 158383032) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 10H-phenoxazine;phthalazine.

Molecular Properties

Compound Name10H-phenoxazine;phthalazine
PubChem CID158383032
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name10H-phenoxazine;phthalazine
SMILESc1ccc2c(c1)Nc1ccccc1O2.c1ccc2cnncc2c1
InChIInChI=1S/C12H9NO.C8H6N2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-8-6-10-9-5-7(8)3-1/h1-8,13H;1-6H
InChIKeyGWAJXUBFIUEKJK-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

Analyze 10H-phenoxazine;phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride
CID 44531039
Benzenamine, 4-(1-phthalazinyloxy)-
CID 6410689
Acetamide, N-(4-(1-phthalazinyloxy)phenyl)-
CID 6410690
2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide
CID 99842608
10-[4-(5,6,7,8,9,10-Hexahydrocycloocta[d]pyridazin-4-yl)phenyl]phenoxazine
CID 168331078
4-Fluoro-2-phthalazin-1-yloxyaniline
CID 43517071
N-(4-phenoxyphenyl)phthalazin-1-amine
CID 44531040
5-Fluoro-2-phthalazin-1-yloxyaniline
CID 62368016
(E)-3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide
CID 75450566
3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide
CID 91944050
3-Fluoro-2-phthalazin-1-yloxyaniline
CID 104832175
10-[3,5-Di(pyridazin-3-yl)phenyl]phenoxazine
CID 58251188

Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine;phthalazine?
The IUPAC name of 10H-phenoxazine;phthalazine (CID 158383032) is 10H-phenoxazine;phthalazine.
What is the SMILES notation for 10H-phenoxazine;phthalazine?
The canonical SMILES for 10H-phenoxazine;phthalazine is c1ccc2c(c1)Nc1ccccc1O2.c1ccc2cnncc2c1.
What is the InChIKey of 10H-phenoxazine;phthalazine?
The InChIKey is GWAJXUBFIUEKJK-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;1-2-4-8-6-10-9-5-7(8)3-1/h1-8,13H;1-6H.
What are the key properties of 10H-phenoxazine;phthalazine?
10H-phenoxazine;phthalazine 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 10H-phenoxazine;phthalazine is sourced from PubChem (CID 158383032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).