10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline

C26H24N2O — CID 172522659

IUPAC10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
SMILESCc1cnc(-c2cccc3c2oc2c4ccncc4ccc32)cc1CC(C)(C)C
InChIInChI=1S/C26H24N2O/c1-16-14-28-23(12-18(16)13-26(2,3)4)22-7-5-6-20-21-9-8-17-15-27-11-10-19(17)24(21)29-25(20)22/h5-12,14-15H,13H2,1-4H3
InChIKeyGGZCHUFVFKXDPU-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.09
Rot. Bonds2

About 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline

10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline (PubChem CID 172522659) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline.

Molecular Properties

Compound Name10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
PubChem CID172522659
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
SMILESCc1cnc(-c2cccc3c2oc2c4ccncc4ccc32)cc1CC(C)(C)C
InChIInChI=1S/C26H24N2O/c1-16-14-28-23(12-18(16)13-26(2,3)4)22-7-5-6-20-21-9-8-17-15-27-11-10-19(17)24(21)29-25(20)22/h5-12,14-15H,13H2,1-4H3
InChIKeyGGZCHUFVFKXDPU-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)-5-methyl-2-pyridinyl]-2,4-dimethyl-[1]benzofuro[2,3-f]isoquinoline
CID 172522663
4-(2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[4,5-b][1]benzofuran-9-yl)-5-(trideuteriomethyl)pyridine
CID 168829498
2-(2,3-dimethyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)-4-(2,2-dimethylpropyl)-5-methylpyridine
CID 168829201
4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine
CID 158736294
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
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
2-([1]benzothiolo[4,5-b][1]benzofuran-9-yl)-5-(2,6-dimethylphenyl)-4-(2,2-dimethylpropyl)pyridine
CID 168829660
trimethyl-[[2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]methyl]silane
CID 171724015
2-deuterio-4-(2,2-dimethylpropyl)-3-methyl-6-naphtho[2,3-b][1]benzofuran-4-ylpyridine
CID 176623928
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
CID 172522614
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline?
The IUPAC name of 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline (CID 172522659) is 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline.
What is the SMILES notation for 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline?
The canonical SMILES for 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline is Cc1cnc(-c2cccc3c2oc2c4ccncc4ccc32)cc1CC(C)(C)C.
What is the InChIKey of 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline?
The InChIKey is GGZCHUFVFKXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-16-14-28-23(12-18(16)13-26(2,3)4)22-7-5-6-20-21-9-8-17-15-27-11-10-19(17)24(21)29-25(20)22/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline?
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]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)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline is sourced from PubChem (CID 172522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).