(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride

C24H24ClN5O5 — CID 67032365

About (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride

(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride (PubChem CID 67032365) has the molecular formula C24H24ClN5O5 and a molecular weight of 497.94 g/mol. Its IUPAC name is (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
• PubChem CID: 67032365
• Molecular Formula: C24H24ClN5O5
• Molecular Weight: 497.94 g/mol
• Exact Mass: 497.15
• IUPAC Name: (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
• SMILES: Cl.Nc1nccc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5c(c4)NC(=O)CC5)C3=O)ccc12
• InChI: InChI=1S/C24H23N5O5.ClH/c25-22-17-5-3-15(11-14(17)7-8-26-22)27-23(32)20(31)21-24(33)29(9-10-34-21)16-4-1-13-2-6-19(30)28-18(13)12-16;/h1,3-5,7-8,11-12,20-21,31H,2,6,9-10H2,(H2,25,26)(H,27,32)(H,28,30);1H/t20-,21-;/m1./s1
• InChIKey: VEZDVZWYYPZWQL-MUCZFFFMSA-N
• XLogP: 1.85
• TPSA: 146.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.94
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride?

The IUPAC name of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride (CID 67032365) is (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride.

What is the SMILES notation for (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride?

The canonical SMILES for (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride is Cl.Nc1nccc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5c(c4)NC(=O)CC5)C3=O)ccc12.

What is the InChIKey of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride?

The InChIKey is VEZDVZWYYPZWQL-MUCZFFFMSA-N. The full InChI is InChI=1S/C24H23N5O5.ClH/c25-22-17-5-3-15(11-14(17)7-8-26-22)27-23(32)20(31)21-24(33)29(9-10-34-21)16-4-1-13-2-6-19(30)28-18(13)12-16;/h1,3-5,7-8,11-12,20-21,31H,2,6,9-10H2,(H2,25,26)(H,27,32)(H,28,30);1H/t20-,21-;/m1./s1.

What are the key properties of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride?

(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride has a molecular weight of 497.94 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 67032365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).