10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline

C26H24N2O — CID 172522614

IUPAC10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
SMILESCc1cc2ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc3c2cn1
InChIInChI=1S/C26H24N2O/c1-16-12-18-8-9-20-19-6-5-7-21(24(19)29-25(20)22(18)15-28-16)23-13-17(10-11-27-23)14-26(2,3)4/h5-13,15H,14H2,1-4H3
InChIKeyHUHDZFOJETYPQM-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.09
Rot. Bonds2

About 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline

10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline (PubChem CID 172522614) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline.

Molecular Properties

Compound Name10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
PubChem CID172522614
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
SMILESCc1cc2ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc3c2cn1
InChIInChI=1S/C26H24N2O/c1-16-12-18-8-9-20-19-6-5-7-21(24(19)29-25(20)22(18)15-28-16)23-13-17(10-11-27-23)14-26(2,3)4/h5-13,15H,14H2,1-4H3
InChIKeyHUHDZFOJETYPQM-UHFFFAOYSA-N
XLogP7.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-([1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829607
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
CID 170251829
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
2-([1]benzothiolo[5,6-b][1]benzofuran-8-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829416
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
CID 172522659
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[2-(2,2-dimethylpropyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridine
CID 161224185
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2,4-dimethyl-[1]benzofuro[2,3-f]isoquinoline
CID 172522663
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline?
The IUPAC name of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline (CID 172522614) is 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline.
What is the SMILES notation for 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline?
The canonical SMILES for 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline is Cc1cc2ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc3c2cn1.
What is the InChIKey of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline?
The InChIKey is HUHDZFOJETYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-16-12-18-8-9-20-19-6-5-7-21(24(19)29-25(20)22(18)15-28-16)23-13-17(10-11-27-23)14-26(2,3)4/h5-13,15H,14H2,1-4H3.
What are the key properties of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline?
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline has a molecular weight of 380.49 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline is sourced from PubChem (CID 172522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).