6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H29N3O — CID 166237499

IUPAC6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CNCC3)C2
InChIInChI=1S/C23H29N3O/c1-23(2,3)20-6-4-18-15-26(11-9-17(18)12-20)22(27)25-21-7-5-16-8-10-24-14-19(16)13-21/h4-7,12-13,24H,8-11,14-15H2,1-3H3,(H,25,27)
InChIKeyRUOPJVVRLPDNED-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.22
Rot. Bonds1

About 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 166237499) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID166237499
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CNCC3)C2
InChIInChI=1S/C23H29N3O/c1-23(2,3)20-6-4-18-15-26(11-9-17(18)12-20)22(27)25-21-7-5-16-8-10-24-14-19(16)13-21/h4-7,12-13,24H,8-11,14-15H2,1-3H3,(H,25,27)
InChIKeyRUOPJVVRLPDNED-UHFFFAOYSA-N
XLogP4.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

7-tert-butyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167869599
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
CID 69182135
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
1-(6-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 164784627
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
7-tert-butyl-N-(5-hydroxypentan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110028319
3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride
CID 122447433
tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
CID 161430493
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
CID 83825841

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 166237499) is 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CNCC3)C2.
What is the InChIKey of 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RUOPJVVRLPDNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-23(2,3)20-6-4-18-15-26(11-9-17(18)12-20)22(27)25-21-7-5-16-8-10-24-14-19(16)13-21/h4-7,12-13,24H,8-11,14-15H2,1-3H3,(H,25,27).
What are the key properties of 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 166237499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).