(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide

C24H26N4O4 — CID 118501226

IUPAC(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
SMILESCC(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-14(2)15-3-6-18(7-4-15)28-11-12-32-21(24(28)31)20(29)23(30)27-17-5-8-19-16(13-17)9-10-26-22(19)25/h3-10,13-14,20-21,29H,11-12H2,1-2H3,(H2,25,26)(H,27,30)/t20-,21-/m1/s1
InChIKeyHJQHSZNSZUNOGQ-NHCUHLMSSA-N
MW434.50 g/mol
LogP2.67
Rot. Bonds5

About (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide

(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide (PubChem CID 118501226) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
PubChem CID118501226
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
SMILESCC(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-14(2)15-3-6-18(7-4-15)28-11-12-32-21(24(28)31)20(29)23(30)27-17-5-8-19-16(13-17)9-10-26-22(19)25/h3-10,13-14,20-21,29H,11-12H2,1-2H3,(H2,25,26)(H,27,30)/t20-,21-/m1/s1
InChIKeyHJQHSZNSZUNOGQ-NHCUHLMSSA-N
XLogP2.67
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
(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
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide;hydrochloride
CID 67222053
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one
CID 91418321
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
CID 123985910
N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 140562830
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
CID 58181545
tert-butyl N-[6-[[(2R)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58290778
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide (CID 118501226) is (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide is CC(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1.
What is the InChIKey of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide?
The InChIKey is HJQHSZNSZUNOGQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14(2)15-3-6-18(7-4-15)28-11-12-32-21(24(28)31)20(29)23(30)27-17-5-8-19-16(13-17)9-10-26-22(19)25/h3-10,13-14,20-21,29H,11-12H2,1-2H3,(H2,25,26)(H,27,30)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide?
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 118501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).