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

C26H24N2O — CID 172522572

IUPAC10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
SMILESCc1ccc2c(ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc23)n1
InChIInChI=1S/C26H24N2O/c1-16-8-9-21-22(28-16)11-10-19-18-6-5-7-20(24(18)29-25(19)21)23-14-17(12-13-27-23)15-26(2,3)4/h5-14H,15H2,1-4H3
InChIKeyCIEQJDUHNRAECX-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.09
Rot. Bonds2

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

10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline (PubChem CID 172522572) 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[2,3-f]quinoline.

Molecular Properties

Compound Name10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
PubChem CID172522572
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
SMILESCc1ccc2c(ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc23)n1
InChIInChI=1S/C26H24N2O/c1-16-8-9-21-22(28-16)11-10-19-18-6-5-7-20(24(18)29-25(19)21)23-14-17(12-13-27-23)15-26(2,3)4/h5-14H,15H2,1-4H3
InChIKeyCIEQJDUHNRAECX-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

Analyze 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
CID 172522614
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
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-9H-[1]benzofuro[2,3-f]quinolin-9-ide;iridium;2-phenylpyridine
CID 172522984
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
CID 176779185
2-([1]benzothiolo[5,6-b][1]benzofuran-8-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829416
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-3-(trideuteriomethyl)-[1]benzofuro[2,3-f]quinoline
CID 172522697
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2,4-dimethyl-[1]benzofuro[2,3-f]isoquinoline
CID 172522663
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
CID 172522659

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline?
The IUPAC name of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline (CID 172522572) is 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline.
What is the SMILES notation for 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline?
The canonical SMILES for 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline is Cc1ccc2c(ccc3c4cccc(-c5cc(CC(C)(C)C)ccn5)c4oc23)n1.
What is the InChIKey of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline?
The InChIKey is CIEQJDUHNRAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-16-8-9-21-22(28-16)11-10-19-18-6-5-7-20(24(18)29-25(19)21)23-14-17(12-13-27-23)15-26(2,3)4/h5-14H,15H2,1-4H3.
What are the key properties of 10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline?
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline 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[2,3-f]quinoline is sourced from PubChem (CID 172522572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).