1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine

C24H14N2O — CID 168746413

IUPAC1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)ccc1ccc(-c3nccc4oc5ccccc5c34)nc12
InChIInChI=1S/C24H14N2O/c1-2-6-17-15(5-1)9-10-16-11-12-19(26-23(16)17)24-22-18-7-3-4-8-20(18)27-21(22)13-14-25-24/h1-14H
InChIKeyLWVYOMJSFAWPKS-UHFFFAOYSA-N
MW346.39 g/mol
LogP6.35
Rot. Bonds1

About 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine

1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine (PubChem CID 168746413) has the molecular formula C24H14N2O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
PubChem CID168746413
Molecular FormulaC24H14N2O
Molecular Weight346.39 g/mol
Exact Mass346.11
IUPAC Name1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)ccc1ccc(-c3nccc4oc5ccccc5c34)nc12
InChIInChI=1S/C24H14N2O/c1-2-6-17-15(5-1)9-10-16-11-12-19(26-23(16)17)24-22-18-7-3-4-8-20(18)27-21(22)13-14-25-24/h1-14H
InChIKeyLWVYOMJSFAWPKS-UHFFFAOYSA-N
XLogP6.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746500
1-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746067
3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
CID 168745893
1-(4-chrysen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 163659374
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
CID 168737787
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 70205602
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine
CID 70413487
iridium;2-phenylbenzo[h]quinoline
CID 175438986
1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 168785131
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine
CID 168765865

Frequently Asked Questions

What is the IUPAC name of 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine (CID 168746413) is 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine is c1ccc2c(c1)ccc1ccc(-c3nccc4oc5ccccc5c34)nc12.
What is the InChIKey of 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is LWVYOMJSFAWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O/c1-2-6-17-15(5-1)9-10-16-11-12-19(26-23(16)17)24-22-18-7-3-4-8-20(18)27-21(22)13-14-25-24/h1-14H.
What are the key properties of 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 346.39 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168746413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).