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

C20H23N3O — CID 845278

IUPAC3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C20H23N3O/c21-13-17-15-9-4-5-10-16(15)19(18-11-6-12-24-18)23-20(17)22-14-7-2-1-3-8-14/h6,11-12,14H,1-5,7-10H2,(H,22,23)
InChIKeyZCYCPDHZZIWTFI-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.84
Rot. Bonds3

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

3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (PubChem CID 845278) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
PubChem CID845278
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C20H23N3O/c21-13-17-15-9-4-5-10-16(15)19(18-11-6-12-24-18)23-20(17)22-14-7-2-1-3-8-14/h6,11-12,14H,1-5,7-10H2,(H,22,23)
InChIKeyZCYCPDHZZIWTFI-UHFFFAOYSA-N
XLogP4.84
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-Furan-2-yl-3-piperazin-1-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
CID 3724094
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The IUPAC name of 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CID 845278) is 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The canonical SMILES for 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is N#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2.
What is the InChIKey of 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The InChIKey is ZCYCPDHZZIWTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-13-17-15-9-4-5-10-16(15)19(18-11-6-12-24-18)23-20(17)22-14-7-2-1-3-8-14/h6,11-12,14H,1-5,7-10H2,(H,22,23).
What are the key properties of 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 845278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).