N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide

C41H55N5O2 — CID 142156473

About N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide

N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide (PubChem CID 142156473) has the molecular formula C41H55N5O2 and a molecular weight of 649.92 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
• PubChem CID: 142156473
• Molecular Formula: C41H55N5O2
• Molecular Weight: 649.92 g/mol
• Exact Mass: 649.44
• IUPAC Name: N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
• SMILES: CCc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3C(C)(C)N2)C(=O)N2CCN(c3cccc4c3C[C@H](N(CC)CC)CC4)CC2)cc1
• InChI: InChI=1S/C41H55N5O2/c1-6-29-16-18-30(19-17-29)26-37(42-39(47)36-27-32-12-9-10-14-35(32)41(4,5)43-36)40(48)46-24-22-45(23-25-46)38-15-11-13-31-20-21-33(28-34(31)38)44(7-2)8-3/h9-19,33,36-37,43H,6-8,20-28H2,1-5H3,(H,42,47)/t33-,36?,37-/m1/s1
• InChIKey: VLPACYZXMYLVBT-GCFSZSGFSA-N
• XLogP: 5.27
• TPSA: 67.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.92
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide?

The IUPAC name of N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide (CID 142156473) is N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide?

The canonical SMILES for N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide is CCc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3C(C)(C)N2)C(=O)N2CCN(c3cccc4c3C[C@H](N(CC)CC)CC4)CC2)cc1.

What is the InChIKey of N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide?

The InChIKey is VLPACYZXMYLVBT-GCFSZSGFSA-N. The full InChI is InChI=1S/C41H55N5O2/c1-6-29-16-18-30(19-17-29)26-37(42-39(47)36-27-32-12-9-10-14-35(32)41(4,5)43-36)40(48)46-24-22-45(23-25-46)38-15-11-13-31-20-21-33(28-34(31)38)44(7-2)8-3/h9-19,33,36-37,43H,6-8,20-28H2,1-5H3,(H,42,47)/t33-,36?,37-/m1/s1.

What are the key properties of N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide?

N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide has a molecular weight of 649.92 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 142156473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).