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

C17H16N2 — CID 905885

IUPAC(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCN[C@@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2/c1-2-6-13-12(5-1)9-10-18-17(13)15-11-19-16-8-4-3-7-14(15)16/h1-8,11,17-19H,9-10H2/t17-/m0/s1
InChIKeyOVZZYKLLIUWFKD-KRWDZBQOSA-N
MW248.33 g/mol
LogP3.40
Rot. Bonds1

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

(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 905885) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID905885
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCN[C@@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2/c1-2-6-13-12(5-1)9-10-18-17(13)15-11-19-16-8-4-3-7-14(15)16/h1-8,11,17-19H,9-10H2/t17-/m0/s1
InChIKeyOVZZYKLLIUWFKD-KRWDZBQOSA-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

Analyze (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(1S)-7-bromo-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 125434619
2-(1H-indol-3-yl)-1,3-thiazolidine
CID 3043139
3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 83672707
(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
CID 118105468
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
CID 54756531
methane;3-piperidin-4-yl-1H-indole
CID 70444570
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869352
(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 138690017
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 905885) is (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCN[C@@H]2c1c[nH]c2ccccc12.
What is the InChIKey of (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OVZZYKLLIUWFKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-13-12(5-1)9-10-18-17(13)15-11-19-16-8-4-3-7-14(15)16/h1-8,11,17-19H,9-10H2/t17-/m0/s1.
What are the key properties of (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
(1S)-1-(1H-indol-3-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 (1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 905885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).