2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol

C31H28N4O2 — CID 176606279

IUPAC2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
SMILESCc1cc(O)c2nc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cnccn5)c4c3)cc(C)c2c1
InChIInChI=1S/C31H28N4O2/c1-18-12-23-19(2)14-29(34-30(23)27(36)13-18)37-21-7-8-22-24-15-20(31(3,4)5)6-9-25(24)35(26(22)16-21)28-17-32-10-11-33-28/h6-17,36H,1-5H3
InChIKeyZFKYVQGFAWCOQG-UHFFFAOYSA-N
MW488.59 g/mol
LogP7.53
Rot. Bonds3

About 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol

2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol (PubChem CID 176606279) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol.

Molecular Properties

Compound Name2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
PubChem CID176606279
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
SMILESCc1cc(O)c2nc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cnccn5)c4c3)cc(C)c2c1
InChIInChI=1S/C31H28N4O2/c1-18-12-23-19(2)14-29(34-30(23)27(36)13-18)37-21-7-8-22-24-15-20(31(3,4)5)6-9-25(24)35(26(22)16-21)28-17-32-10-11-33-28/h6-17,36H,1-5H3
InChIKeyZFKYVQGFAWCOQG-UHFFFAOYSA-N
XLogP7.53
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol 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

4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
CID 176606752
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
6-methyl-2-[7-methyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176605644
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
CID 176606114
(3aR,6aS)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 170933690
6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606270
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol?
The IUPAC name of 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol (CID 176606279) is 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol.
What is the SMILES notation for 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol?
The canonical SMILES for 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol is Cc1cc(O)c2nc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cnccn5)c4c3)cc(C)c2c1.
What is the InChIKey of 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol?
The InChIKey is ZFKYVQGFAWCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-18-12-23-19(2)14-29(34-30(23)27(36)13-18)37-21-7-8-22-24-15-20(31(3,4)5)6-9-25(24)35(26(22)16-21)28-17-32-10-11-33-28/h6-17,36H,1-5H3.
What are the key properties of 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol?
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol has a molecular weight of 488.59 g/mol, XLogP of 7.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol is sourced from PubChem (CID 176606279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).