N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

C17H27ClN4O2 — CID 120651384

About N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (PubChem CID 120651384) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
• PubChem CID: 120651384
• Molecular Formula: C17H27ClN4O2
• Molecular Weight: 354.88 g/mol
• Exact Mass: 354.18
• IUPAC Name: N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
• SMILES: CCN[C@H](C)CNC(=O)CNC(=O)N1CCc2ccccc2C1.Cl
• InChI: InChI=1S/C17H26N4O2.ClH/c1-3-18-13(2)10-19-16(22)11-20-17(23)21-9-8-14-6-4-5-7-15(14)12-21;/h4-7,13,18H,3,8-12H2,1-2H3,(H,19,22)(H,20,23);1H/t13-;/m1./s1
• InChIKey: UASPZWBAVQUQRF-BTQNPOSSSA-N
• XLogP: 1.29
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.88
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?

The IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (CID 120651384) is N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?

The canonical SMILES for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)CNC(=O)N1CCc2ccccc2C1.Cl.

What is the InChIKey of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?

The InChIKey is UASPZWBAVQUQRF-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-3-18-13(2)10-19-16(22)11-20-17(23)21-9-8-14-6-4-5-7-15(14)12-21;/h4-7,13,18H,3,8-12H2,1-2H3,(H,19,22)(H,20,23);1H/t13-;/m1./s1.

What are the key properties of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?

N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is sourced from PubChem (CID 120651384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).