(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16N2 — CID 129394389

IUPAC(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@@H]2c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H16N2/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18-19H,10-11H2/t16-/m1/s1
InChIKeyOBZUTWFAQMDOIH-MRXNPFEDSA-N
MW248.33 g/mol
LogP3.40
Rot. Bonds1

About (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 129394389) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID129394389
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@@H]2c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H16N2/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18-19H,10-11H2/t16-/m1/s1
InChIKeyOBZUTWFAQMDOIH-MRXNPFEDSA-N
XLogP3.40
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996719
(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394396
(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
(4R)-4-(1-benzofuran-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394122
5-(1H-indol-5-yl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 24887406
(4R)-4-(1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129383682
4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 116545643
ethane;[(4S)-4-naphthalen-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]boronic acid
CID 144727117
6-pyrrolidin-3-yl-1H-indole
CID 82602367
2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol
CID 69001123
4-(1H-indol-6-yl)-2-methyl-7-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998656

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 129394389) is (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNC[C@@H]2c1ccc2cc[nH]c2c1.
What is the InChIKey of (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OBZUTWFAQMDOIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18-19H,10-11H2/t16-/m1/s1.
What are the key properties of (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 248.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 129394389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).