6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine

C26H22N4O — CID 164946801

IUPAC6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
SMILESc1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2
InChIKeyFFLJVBPCONQSQW-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.12
Rot. Bonds3

About 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine

6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine (PubChem CID 164946801) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
PubChem CID164946801
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
SMILESc1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2
InChIKeyFFLJVBPCONQSQW-UHFFFAOYSA-N
XLogP5.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-2-yl)pyridin-3-yl}isoquinoline
CID 23647572
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
example 184 [WO2014186035]
CID 86280679
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-6-ylmethanone
CID 15719111
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-diethylethane-1,2-diamine
CID 44420781
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
N',N'-dimethyl-N-(5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium-11-yl)propane-1,3-diamine iodide
CID 25132570
7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
CID 44532452
7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
CID 44532474
7-[5-(piperazin-1-ylmethyl)furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine;hydrochloride
CID 44532475

Frequently Asked Questions

What is the IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine?
The IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine (CID 164946801) is 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine?
The canonical SMILES for 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine is c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine?
The InChIKey is FFLJVBPCONQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2.
What are the key properties of 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine?
6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine has a molecular weight of 406.49 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 164946801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).