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

C26H19N3O — CID 162692686

IUPAC8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C)c34)cccc12
InChIInChI=1S/C26H19N3O/c1-14-6-4-7-17-11-13-20-23(28-16(3)29-24(20)22(14)17)21-9-5-8-18-19-12-10-15(2)27-26(19)30-25(18)21/h4-13H,1-3H3
InChIKeyUBKHUHUGKVSWMC-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.67
Rot. Bonds1

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

8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162692686) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID162692686
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C)c34)cccc12
InChIInChI=1S/C26H19N3O/c1-14-6-4-7-17-11-13-20-23(28-16(3)29-24(20)22(14)17)21-9-5-8-18-19-12-10-15(2)27-26(19)30-25(18)21/h4-13H,1-3H3
InChIKeyUBKHUHUGKVSWMC-UHFFFAOYSA-N
XLogP6.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.67
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

2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 176722744
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
trimethyl-[2,8,10-trimethyl-4-[7-(6-methyl-3-pyridinyl)dibenzofuran-4-yl]benzo[h]quinazolin-9-yl]germane
CID 162692592
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
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-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
CID 176722779
2-methyl-8-(6-phenylfuro[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153444870
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065

Frequently Asked Questions

What is the IUPAC name of 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 162692686) is 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nc(C)nc4c3ccc3cccc(C)c34)cccc12.
What is the InChIKey of 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UBKHUHUGKVSWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-14-6-4-7-17-11-13-20-23(28-16(3)29-24(20)22(14)17)21-9-5-8-18-19-12-10-15(2)27-26(19)30-25(18)21/h4-13H,1-3H3.
What are the key properties of 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 389.46 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).