4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

C23H27N3 — CID 68997392

IUPAC4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N3/c1-25-15-18-13-19(26-11-5-2-6-12-26)9-10-20(18)21(16-25)23-14-17-7-3-4-8-22(17)24-23/h3-4,7-10,13-14,21,24H,2,5-6,11-12,15-16H2,1H3
InChIKeyGEUPABHSEKEJJC-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.74
Rot. Bonds2

About 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68997392) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68997392
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N3/c1-25-15-18-13-19(26-11-5-2-6-12-26)9-10-20(18)21(16-25)23-14-17-7-3-4-8-22(17)24-23/h3-4,7-10,13-14,21,24H,2,5-6,11-12,15-16H2,1H3
InChIKeyGEUPABHSEKEJJC-UHFFFAOYSA-N
XLogP4.74
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68995959
4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 141465278
2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
CID 68995714
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
CID 168515104
1-ethyl-3-(1H-indol-2-yl)azepan-2-one
CID 152739871
(4R)-4-(1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129383682
2-cyclohexyl-1H-indole
CID 607977
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (CID 68997392) is 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(N3CCCCC3)ccc2C(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is GEUPABHSEKEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-25-15-18-13-19(26-11-5-2-6-12-26)9-10-20(18)21(16-25)23-14-17-7-3-4-8-22(17)24-23/h3-4,7-10,13-14,21,24H,2,5-6,11-12,15-16H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 345.49 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68997392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).