(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide

C23H21N5O4 — CID 123985910

IUPAC(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
SMILESNc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5cccnc5c4)C3=O)ccc12
InChIInChI=1S/C23H21N5O4/c24-21-17-6-4-15(10-14(17)12-26-21)27-22(30)19(29)20-23(31)28(8-9-32-20)16-5-3-13-2-1-7-25-18(13)11-16/h1-7,10-12,19-20,26,29H,8-9,24H2,(H,27,30)/t19-,20-/m1/s1
InChIKeyKGTJNDDEAHTMAO-WOJBJXKFSA-N
MW431.45 g/mol
LogP2.03
Rot. Bonds4

About (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide (PubChem CID 123985910) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
PubChem CID123985910
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
SMILESNc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5cccnc5c4)C3=O)ccc12
InChIInChI=1S/C23H21N5O4/c24-21-17-6-4-15(10-14(17)12-26-21)27-22(30)19(29)20-23(31)28(8-9-32-20)16-5-3-13-2-1-7-25-18(13)11-16/h1-7,10-12,19-20,26,29H,8-9,24H2,(H,27,30)/t19-,20-/m1/s1
InChIKeyKGTJNDDEAHTMAO-WOJBJXKFSA-N
XLogP2.03
TPSA133.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3R)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123243136
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123292220
(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-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
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
N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 140562830
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetic acid
CID 67222239
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(1H-indol-6-yl)-3-oxomorpholin-2-yl]acetamide
CID 140562851

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide (CID 123985910) is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide is Nc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5cccnc5c4)C3=O)ccc12.
What is the InChIKey of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide?
The InChIKey is KGTJNDDEAHTMAO-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H21N5O4/c24-21-17-6-4-15(10-14(17)12-26-21)27-22(30)19(29)20-23(31)28(8-9-32-20)16-5-3-13-2-1-7-25-18(13)11-16/h1-7,10-12,19-20,26,29H,8-9,24H2,(H,27,30)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide?
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide has a molecular weight of 431.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide is sourced from PubChem (CID 123985910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).