2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

C34H32N6O2 — CID 171073745

IUPAC2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESCc1[nH]nc2ccc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6n[nH]c(C)c6c5)ccc3O4)cc12
InChIInChI=1S/C34H32N6O2/c1-21-27-17-23(3-7-29(27)37-35-21)25-5-9-33-31(19-25)40(12-11-39-13-15-41-16-14-39)32-20-26(6-10-34(32)42-33)24-4-8-30-28(18-24)22(2)36-38-30/h3-10,17-20H,11-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyZABACEWDSCGTHU-UHFFFAOYSA-N
MW556.67 g/mol
LogP6.97
Rot. Bonds5

About 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (PubChem CID 171073745) has the molecular formula C34H32N6O2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.

Molecular Properties

Compound Name2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
PubChem CID171073745
Molecular FormulaC34H32N6O2
Molecular Weight556.67 g/mol
Exact Mass556.26
IUPAC Name2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESCc1[nH]nc2ccc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6n[nH]c(C)c6c5)ccc3O4)cc12
InChIInChI=1S/C34H32N6O2/c1-21-27-17-23(3-7-29(27)37-35-21)25-5-9-33-31(19-25)40(12-11-39-13-15-41-16-14-39)32-20-26(6-10-34(32)42-33)24-4-8-30-28(18-24)22(2)36-38-30/h3-10,17-20H,11-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyZABACEWDSCGTHU-UHFFFAOYSA-N
XLogP6.97
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073548
4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol
CID 174288599
4-[8-[4-carboxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)benzoic acid
CID 171073816
4-[2-[3,7-bis(3-methyl-1H-indol-5-yl)phenothiazin-10-yl]ethyl]morpholine
CID 171073806
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
CID 143269918
4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 71003559
7-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
CID 175346345
3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073514
4-(2-morpholin-4-ylethyl)-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 39086444
4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine
CID 171073413
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
CID 24958742

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The IUPAC name of 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (CID 171073745) is 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.
What is the SMILES notation for 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The canonical SMILES for 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is Cc1[nH]nc2ccc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6n[nH]c(C)c6c5)ccc3O4)cc12.
What is the InChIKey of 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The InChIKey is ZABACEWDSCGTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O2/c1-21-27-17-23(3-7-29(27)37-35-21)25-5-9-33-31(19-25)40(12-11-39-13-15-41-16-14-39)32-20-26(6-10-34(32)42-33)24-4-8-30-28(18-24)22(2)36-38-30/h3-10,17-20H,11-16H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine has a molecular weight of 556.67 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is sourced from PubChem (CID 171073745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).