2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol

C34H33N3O2 — CID 176606181

IUPAC2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol
SMILESCCc1ccc(-n2c3cc(Oc4ccc5c(C(C)C)ccc(O)c5n4)ccc3c3c(C(C)C)cccc32)nc1
InChIInChI=1S/C34H33N3O2/c1-6-22-10-16-31(35-19-22)37-28-9-7-8-25(21(4)5)33(28)27-12-11-23(18-29(27)37)39-32-17-14-26-24(20(2)3)13-15-30(38)34(26)36-32/h7-21,38H,6H2,1-5H3
InChIKeyHEGFCWOSRRXLGV-UHFFFAOYSA-N
MW515.66 g/mol
LogP9.03
Rot. Bonds6

About 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol

2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol (PubChem CID 176606181) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol.

Molecular Properties

Compound Name2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol
PubChem CID176606181
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC Name2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol
SMILESCCc1ccc(-n2c3cc(Oc4ccc5c(C(C)C)ccc(O)c5n4)ccc3c3c(C(C)C)cccc32)nc1
InChIInChI=1S/C34H33N3O2/c1-6-22-10-16-31(35-19-22)37-28-9-7-8-25(21(4)5)33(28)27-12-11-23(18-29(27)37)39-32-17-14-26-24(20(2)3)13-15-30(38)34(26)36-32/h7-21,38H,6H2,1-5H3
InChIKeyHEGFCWOSRRXLGV-UHFFFAOYSA-N
XLogP9.03
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol with MolForge

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Related Compounds

5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
CID 176606765
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
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
6-propan-2-yl-2-(8-propan-2-yl-9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176605977
2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
CID 176606652
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
6-methyl-2-[7-methyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176605644
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
CID 176606775

Frequently Asked Questions

What is the IUPAC name of 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol?
The IUPAC name of 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol (CID 176606181) is 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol.
What is the SMILES notation for 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol?
The canonical SMILES for 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol is CCc1ccc(-n2c3cc(Oc4ccc5c(C(C)C)ccc(O)c5n4)ccc3c3c(C(C)C)cccc32)nc1.
What is the InChIKey of 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol?
The InChIKey is HEGFCWOSRRXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-6-22-10-16-31(35-19-22)37-28-9-7-8-25(21(4)5)33(28)27-12-11-23(18-29(27)37)39-32-17-14-26-24(20(2)3)13-15-30(38)34(26)36-32/h7-21,38H,6H2,1-5H3.
What are the key properties of 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol?
2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol has a molecular weight of 515.66 g/mol, XLogP of 9.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol is sourced from PubChem (CID 176606181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).