4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol

C31H27N3O2 — CID 176605878

IUPAC4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccc(-n2c3ccc(C(C)C)cc3c3ccc(Oc4cc(C)c5cccc(O)c5n4)cc32)nc1
InChIInChI=1S/C31H27N3O2/c1-18(2)21-9-12-26-25(15-21)24-11-10-22(16-27(24)34(26)29-13-8-19(3)17-32-29)36-30-14-20(4)23-6-5-7-28(35)31(23)33-30/h5-18,35H,1-4H3
InChIKeyNPJCUFJRVHGRMS-UHFFFAOYSA-N
MW473.58 g/mol
LogP7.97
Rot. Bonds4

About 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol

4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176605878) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

Compound Name4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
PubChem CID176605878
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC Name4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccc(-n2c3ccc(C(C)C)cc3c3ccc(Oc4cc(C)c5cccc(O)c5n4)cc32)nc1
InChIInChI=1S/C31H27N3O2/c1-18(2)21-9-12-26-25(15-21)24-11-10-22(16-27(24)34(26)29-13-8-19(3)17-32-29)36-30-14-20(4)23-6-5-7-28(35)31(23)33-30/h5-18,35H,1-4H3
InChIKeyNPJCUFJRVHGRMS-UHFFFAOYSA-N
XLogP7.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol with MolForge

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Related Compounds

4-methyl-2-[[9-(5-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605877
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
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
CID 176606279
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
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
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 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol?
The IUPAC name of 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol (CID 176605878) is 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol.
What is the SMILES notation for 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol?
The canonical SMILES for 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol is Cc1ccc(-n2c3ccc(C(C)C)cc3c3ccc(Oc4cc(C)c5cccc(O)c5n4)cc32)nc1.
What is the InChIKey of 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol?
The InChIKey is NPJCUFJRVHGRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-18(2)21-9-12-26-25(15-21)24-11-10-22(16-27(24)34(26)29-13-8-19(3)17-32-29)36-30-14-20(4)23-6-5-7-28(35)31(23)33-30/h5-18,35H,1-4H3.
What are the key properties of 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol?
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 473.58 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176605878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).