1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine

C23H17N3O2 — CID 175870984

IUPAC1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine
SMILESCOc1cccc(-c2ccc(-c3cccc4c3Nc3ccccc3O4)nn2)c1
InChIInChI=1S/C23H17N3O2/c1-27-16-7-4-6-15(14-16)18-12-13-19(26-25-18)17-8-5-11-22-23(17)24-20-9-2-3-10-21(20)28-22/h2-14,24H,1H3
InChIKeyNJDXJGVHUGCTCQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.67
Rot. Bonds3

About 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine

1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine (PubChem CID 175870984) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine.

Molecular Properties

Compound Name1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine
PubChem CID175870984
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine
SMILESCOc1cccc(-c2ccc(-c3cccc4c3Nc3ccccc3O4)nn2)c1
InChIInChI=1S/C23H17N3O2/c1-27-16-7-4-6-15(14-16)18-12-13-19(26-25-18)17-8-5-11-22-23(17)24-20-9-2-3-10-21(20)28-22/h2-14,24H,1H3
InChIKeyNJDXJGVHUGCTCQ-UHFFFAOYSA-N
XLogP5.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Ethoxy-2-methyl(4-quinolyl))(2-ethoxyphenyl)amine
CID 696589
N-(2-ethoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 696501
6-ethoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine
CID 696585
Quinophenoxazine
CID 134346932
Pyrazolo(1,5-a)quinoline, 4,5-dihydro-2-(3-(phenylmethoxy)phenyl)-
CID 3042687
8-methoxy-N,2-diphenylquinolin-4-amine
CID 91032667
8-[6-(Trifluoromethyl)pyridazin-3-yl]oxy-1,2,3,4-tetrahydroquinoline
CID 81833095
8-methoxy-N-(2-methoxyphenyl)-2-phenylquinolin-4-amine
CID 1018082
N-(2-ethoxyphenyl)-6-methoxy-2-methylquinolin-4-amine hydrochloride
CID 2790590
(6-Ethoxy-2-methyl(4-quinolyl))(2-methoxyphenyl)amine, chloride
CID 2790762
4-(6-Methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline
CID 136917358
2-[1-(2-Methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]aniline
CID 73293613

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine?
The IUPAC name of 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine (CID 175870984) is 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine.
What is the SMILES notation for 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine?
The canonical SMILES for 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine is COc1cccc(-c2ccc(-c3cccc4c3Nc3ccccc3O4)nn2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine?
The InChIKey is NJDXJGVHUGCTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-27-16-7-4-6-15(14-16)18-12-13-19(26-25-18)17-8-5-11-22-23(17)24-20-9-2-3-10-21(20)28-22/h2-14,24H,1H3.
What are the key properties of 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine?
1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine has a molecular weight of 367.41 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenyl)pyridazin-3-yl]-10H-phenoxazine is sourced from PubChem (CID 175870984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).