2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine

C28H23N3O — CID 176722744

IUPAC2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C(C)C)c34)cccc12
InChIInChI=1S/C28H23N3O/c1-15(2)19-8-5-7-18-12-14-22-25(30-17(4)31-26(22)24(18)19)23-10-6-9-20-21-13-11-16(3)29-28(21)32-27(20)23/h5-15H,1-4H3
InChIKeyACTKNZLMGODBBM-UHFFFAOYSA-N
MW417.51 g/mol
LogP7.48
Rot. Bonds2

About 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine

2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 176722744) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID176722744
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C(C)C)c34)cccc12
InChIInChI=1S/C28H23N3O/c1-15(2)19-8-5-7-18-12-14-22-25(30-17(4)31-26(22)24(18)19)23-10-6-9-20-21-13-11-16(3)29-28(21)32-27(20)23/h5-15H,1-4H3
InChIKeyACTKNZLMGODBBM-UHFFFAOYSA-N
XLogP7.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 153444925
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 140742001
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 129021174
8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 162692534
2-methyl-8-(6-phenylfuro[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153444870
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine (CID 176722744) is 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C(C)C)c34)cccc12.
What is the InChIKey of 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ACTKNZLMGODBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-15(2)19-8-5-7-18-12-14-22-25(30-17(4)31-26(22)24(18)19)23-10-6-9-20-21-13-11-16(3)29-28(21)32-27(20)23/h5-15H,1-4H3.
What are the key properties of 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 417.51 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 176722744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).