1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

C18H20N4O — CID 3724094

IUPAC1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(N2CCNCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C18H20N4O/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-11-23-16)21-18(15)22-9-7-20-8-10-22/h3,6,11,20H,1-2,4-5,7-10H2
InChIKeyNWGIJBRDVFIBHQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.50
Rot. Bonds2

About 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (PubChem CID 3724094) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
PubChem CID3724094
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(N2CCNCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C18H20N4O/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-11-23-16)21-18(15)22-9-7-20-8-10-22/h3,6,11,20H,1-2,4-5,7-10H2
InChIKeyNWGIJBRDVFIBHQ-UHFFFAOYSA-N
XLogP2.50
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
1-(Furan-2-yl)-3-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658252
1-(Furan-2-yl)-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1888319
8-(Furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
CID 625473
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 1051589
2-Amino-6-(5-methyl-furan-2-yl)-4-phenyl-nicotinonitrile
CID 649080
8-(furan-2-yl)-3,3-dimethyl-6-{[2-(morpholin-4-yl)ethyl]amino}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 659343
8-(2-Furyl)-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
8-(Furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659439
8-(Furan-2-yl)-6-(furan-2-ylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659909

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The IUPAC name of 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CID 3724094) is 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The canonical SMILES for 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is N#Cc1c(N2CCNCC2)nc(-c2ccco2)c2c1CCCC2.
What is the InChIKey of 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The InChIKey is NWGIJBRDVFIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-11-23-16)21-18(15)22-9-7-20-8-10-22/h3,6,11,20H,1-2,4-5,7-10H2.
What are the key properties of 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 3724094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).