8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine

C29H22N2O — CID 140916393

IUPAC8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)ccc1nc(-c3cccc4c3oc3ncccc34)cc(C3CCCC3)c12
InChIInChI=1S/C29H22N2O/c1-2-8-18(7-1)24-17-26(31-25-15-14-19-9-3-4-10-20(19)27(24)25)23-12-5-11-21-22-13-6-16-30-29(22)32-28(21)23/h3-6,9-18H,1-2,7-8H2
InChIKeyFBMJZZFRBSRSCY-UHFFFAOYSA-N
MW414.51 g/mol
LogP8.01
Rot. Bonds2

About 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine

8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 140916393) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID140916393
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)ccc1nc(-c3cccc4c3oc3ncccc34)cc(C3CCCC3)c12
InChIInChI=1S/C29H22N2O/c1-2-8-18(7-1)24-17-26(31-25-15-14-19-9-3-4-10-20(19)27(24)25)23-12-5-11-21-22-13-6-16-30-29(22)32-28(21)23/h3-6,9-18H,1-2,7-8H2
InChIKeyFBMJZZFRBSRSCY-UHFFFAOYSA-N
XLogP8.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 58.01
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

[3-(6-tert-butyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[f]quinolin-1-yl]-trimethylgermane
CID 140916532
6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916361
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
CID 174072504
CID 174072504
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
2-(4-cyclohexylnaphthalen-2-yl)pyridine
CID 151672522
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine (CID 140916393) is 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)ccc1nc(-c3cccc4c3oc3ncccc34)cc(C3CCCC3)c12.
What is the InChIKey of 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FBMJZZFRBSRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-2-8-18(7-1)24-17-26(31-25-15-14-19-9-3-4-10-20(19)27(24)25)23-12-5-11-21-22-13-6-16-30-29(22)32-28(21)23/h3-6,9-18H,1-2,7-8H2.
What are the key properties of 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 414.51 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140916393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).