2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one

C24H25N3O4 — CID 91418321

IUPAC2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CCOC(C(O)C(=O)CNc3ccc4c(C)nccc4c3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-3-6-19(7-4-15)27-11-12-31-23(24(27)30)22(29)21(28)14-26-18-5-8-20-16(2)25-10-9-17(20)13-18/h3-10,13,22-23,26,29H,11-12,14H2,1-2H3
InChIKeyBLDBWDQNNWRZGN-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.63
Rot. Bonds6

About 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one

2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one (PubChem CID 91418321) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one
PubChem CID91418321
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CCOC(C(O)C(=O)CNc3ccc4c(C)nccc4c3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-3-6-19(7-4-15)27-11-12-31-23(24(27)30)22(29)21(28)14-26-18-5-8-20-16(2)25-10-9-17(20)13-18/h3-10,13,22-23,26,29H,11-12,14H2,1-2H3
InChIKeyBLDBWDQNNWRZGN-UHFFFAOYSA-N
XLogP2.63
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one with MolForge

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Related Compounds

(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
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-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
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-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 118591047
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
CID 123985910
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562743

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one?
The IUPAC name of 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one (CID 91418321) is 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one.
What is the SMILES notation for 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one?
The canonical SMILES for 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one is Cc1ccc(N2CCOC(C(O)C(=O)CNc3ccc4c(C)nccc4c3)C2=O)cc1.
What is the InChIKey of 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one?
The InChIKey is BLDBWDQNNWRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-3-6-19(7-4-15)27-11-12-31-23(24(27)30)22(29)21(28)14-26-18-5-8-20-16(2)25-10-9-17(20)13-18/h3-10,13,22-23,26,29H,11-12,14H2,1-2H3.
What are the key properties of 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one?
2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one has a molecular weight of 419.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one is sourced from PubChem (CID 91418321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).