(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline

C17H15NO — CID 129394396

IUPAC(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@H]2c1ccc2ccoc2c1
InChIInChI=1S/C17H15NO/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1
InChIKeyWGLMWYZWOPBOMO-INIZCTEOSA-N
MW249.31 g/mol
LogP3.67
Rot. Bonds1

About (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline

(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 129394396) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID129394396
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@H]2c1ccc2ccoc2c1
InChIInChI=1S/C17H15NO/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1
InChIKeyWGLMWYZWOPBOMO-INIZCTEOSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4R)-4-(1-benzofuran-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394122
4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996719
4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68994722
(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394389
(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394155
4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996867
4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 116545643
(4R)-4-(1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129383682
6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
CID 102696445
ethane;[(4S)-4-naphthalen-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]boronic acid
CID 144727117
5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
CID 65263106
4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781460

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 129394396) is (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNC[C@H]2c1ccc2ccoc2c1.
What is the InChIKey of (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WGLMWYZWOPBOMO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1.
What are the key properties of (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline?
(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 249.31 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 129394396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).