5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol

C28H22N4O2 — CID 176606879

IUPAC5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
SMILESCC(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cnccn5)c4c3)ccc12
InChIInChI=1S/C28H22N4O2/c1-17(2)19-9-11-25(33)28-22(19)10-12-27(31-28)34-18-7-8-21-20-5-3-4-6-23(20)32(24(21)15-18)26-16-29-13-14-30-26/h3-17,33H,1-2H3
InChIKeyLUGYYXPMLMDVBI-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.74
Rot. Bonds4

About 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol

5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol (PubChem CID 176606879) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol.

Molecular Properties

Compound Name5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
PubChem CID176606879
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
SMILESCC(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cnccn5)c4c3)ccc12
InChIInChI=1S/C28H22N4O2/c1-17(2)19-9-11-25(33)28-22(19)10-12-27(31-28)34-18-7-8-21-20-5-3-4-6-23(20)32(24(21)15-18)26-16-29-13-14-30-26/h3-17,33H,1-2H3
InChIKeyLUGYYXPMLMDVBI-UHFFFAOYSA-N
XLogP6.74
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol
CID 176606181
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
6-propan-2-yl-2-(8-propan-2-yl-9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176605977
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
CID 176606279
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
CID 176606775
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,8,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949626
2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
CID 176606765
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The IUPAC name of 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol (CID 176606879) is 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol.
What is the SMILES notation for 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The canonical SMILES for 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol is CC(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cnccn5)c4c3)ccc12.
What is the InChIKey of 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The InChIKey is LUGYYXPMLMDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-17(2)19-9-11-25(33)28-22(19)10-12-27(31-28)34-18-7-8-21-20-5-3-4-6-23(20)32(24(21)15-18)26-16-29-13-14-30-26/h3-17,33H,1-2H3.
What are the key properties of 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol has a molecular weight of 446.51 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol is sourced from PubChem (CID 176606879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).