4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline

C21H20N2 — CID 66651924

IUPAC4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(C)cc(C)cc34)c2c1
InChIInChI=1S/C21H20N2/c1-12-5-6-19-18(10-12)20(15(4)23-19)16-7-8-22-21-14(3)9-13(2)11-17(16)21/h5-11,23H,1-4H3
InChIKeyOXUCXGPSOQFAIU-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.62
Rot. Bonds1

About 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline

4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline (PubChem CID 66651924) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline.

Molecular Properties

Compound Name4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline
PubChem CID66651924
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(C)cc(C)cc34)c2c1
InChIInChI=1S/C21H20N2/c1-12-5-6-19-18(10-12)20(15(4)23-19)16-7-8-22-21-14(3)9-13(2)11-17(16)21/h5-11,23H,1-4H3
InChIKeyOXUCXGPSOQFAIU-UHFFFAOYSA-N
XLogP5.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline?
The IUPAC name of 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline (CID 66651924) is 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline.
What is the SMILES notation for 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline?
The canonical SMILES for 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline is Cc1ccc2[nH]c(C)c(-c3ccnc4c(C)cc(C)cc34)c2c1.
What is the InChIKey of 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline?
The InChIKey is OXUCXGPSOQFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-12-5-6-19-18(10-12)20(15(4)23-19)16-7-8-22-21-14(3)9-13(2)11-17(16)21/h5-11,23H,1-4H3.
What are the key properties of 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline?
4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline has a molecular weight of 300.41 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline is sourced from PubChem (CID 66651924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).