1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline

C26H28N2O2 — CID 44818182

IUPAC1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(OC)CC(C)(C)C3)cc1
InChIInChI=1S/C26H28N2O2/c1-26(2)14-21-24(22(15-26)30-4)23-18-7-5-6-8-19(18)28-25(23)20(27-21)13-16-9-11-17(29-3)12-10-16/h5-12,22,28H,13-15H2,1-4H3
InChIKeyHNPTXJSNQFKPJG-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.98
Rot. Bonds4

About 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline

1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline (PubChem CID 44818182) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline.

Molecular Properties

Compound Name1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
PubChem CID44818182
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(OC)CC(C)(C)C3)cc1
InChIInChI=1S/C26H28N2O2/c1-26(2)14-21-24(22(15-26)30-4)23-18-7-5-6-8-19(18)28-25(23)20(27-21)13-16-9-11-17(29-3)12-10-16/h5-12,22,28H,13-15H2,1-4H3
InChIKeyHNPTXJSNQFKPJG-UHFFFAOYSA-N
XLogP5.98
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline?
The IUPAC name of 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline (CID 44818182) is 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline.
What is the SMILES notation for 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline?
The canonical SMILES for 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline is COc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(OC)CC(C)(C)C3)cc1.
What is the InChIKey of 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline?
The InChIKey is HNPTXJSNQFKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-26(2)14-21-24(22(15-26)30-4)23-18-7-5-6-8-19(18)28-25(23)20(27-21)13-16-9-11-17(29-3)12-10-16/h5-12,22,28H,13-15H2,1-4H3.
What are the key properties of 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline?
1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline has a molecular weight of 400.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline is sourced from PubChem (CID 44818182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).