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

C18H19N3O2 — CID 658252

IUPAC1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C18H19N3O2/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-9-23-16)20-18(15)21-7-10-22-11-8-21/h3,6,9H,1-2,4-5,7-8,10-11H2
InChIKeyCQFOBSMSILCVAW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.93
Rot. Bonds2

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

1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (PubChem CID 658252) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
PubChem CID658252
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C18H19N3O2/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-9-23-16)20-18(15)21-7-10-22-11-8-21/h3,6,9H,1-2,4-5,7-8,10-11H2
InChIKeyCQFOBSMSILCVAW-UHFFFAOYSA-N
XLogP2.93
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The IUPAC name of 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CID 658252) is 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The canonical SMILES for 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is N#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2.
What is the InChIKey of 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The InChIKey is CQFOBSMSILCVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-9-23-16)20-18(15)21-7-10-22-11-8-21/h3,6,9H,1-2,4-5,7-8,10-11H2.
What are the key properties of 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 658252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).