6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline

C28H29NO — CID 59572440

IUPAC6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc2oc3c(c2c1)Cc1ccccc1N3c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C28H29NO/c1-17-11-12-25-22(13-17)23-16-20-9-7-8-10-24(20)29(27(23)30-25)26-18(2)14-21(15-19(26)3)28(4,5)6/h7-15H,16H2,1-6H3
InChIKeyYEADEFWPIPWVNL-UHFFFAOYSA-N
MW395.55 g/mol
LogP8.03
Rot. Bonds1

About 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline

6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline (PubChem CID 59572440) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline
PubChem CID59572440
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc2oc3c(c2c1)Cc1ccccc1N3c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C28H29NO/c1-17-11-12-25-22(13-17)23-16-20-9-7-8-10-24(20)29(27(23)30-25)26-18(2)14-21(15-19(26)3)28(4,5)6/h7-15H,16H2,1-6H3
InChIKeyYEADEFWPIPWVNL-UHFFFAOYSA-N
XLogP8.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline (CID 59572440) is 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline is Cc1ccc2oc3c(c2c1)Cc1ccccc1N3c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline?
The InChIKey is YEADEFWPIPWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c1-17-11-12-25-22(13-17)23-16-20-9-7-8-10-24(20)29(27(23)30-25)26-18(2)14-21(15-19(26)3)28(4,5)6/h7-15H,16H2,1-6H3.
What are the key properties of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline?
6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline has a molecular weight of 395.55 g/mol, XLogP of 8.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 59572440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).