(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide

C21H22N2O3 — CID 136583936

IUPAC(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)[C@@H]3OCC[C@@H]3c3ccccc3)cc2C1=O
InChIInChI=1S/C21H22N2O3/c1-23-11-9-15-7-8-16(13-18(15)21(23)25)22-20(24)19-17(10-12-26-19)14-5-3-2-4-6-14/h2-8,13,17,19H,9-12H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyJRCVWYGZWIUALQ-IEBWSBKVSA-N
MW350.42 g/mol
LogP2.83
Rot. Bonds3

About (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide

(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide (PubChem CID 136583936) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide
PubChem CID136583936
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)[C@@H]3OCC[C@@H]3c3ccccc3)cc2C1=O
InChIInChI=1S/C21H22N2O3/c1-23-11-9-15-7-8-16(13-18(15)21(23)25)22-20(24)19-17(10-12-26-19)14-5-3-2-4-6-14/h2-8,13,17,19H,9-12H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyJRCVWYGZWIUALQ-IEBWSBKVSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide
CID 119801517
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxolane-2-carboxamide
CID 120794742
1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 127264741
1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119801508
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)butanamide
CID 119801528
N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 139011170
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
3-phenyloxolane-2-carboxylic acid
CID 122200609
(2S)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)oxolane-2-carboxamide
CID 40957932
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 16812651
3-methyl-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-oxopyrrolidine-3-carboxamide
CID 136558371
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 166220278

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide?
The IUPAC name of (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide (CID 136583936) is (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide is CN1CCc2ccc(NC(=O)[C@@H]3OCC[C@@H]3c3ccccc3)cc2C1=O.
What is the InChIKey of (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide?
The InChIKey is JRCVWYGZWIUALQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-23-11-9-15-7-8-16(13-18(15)21(23)25)22-20(24)19-17(10-12-26-19)14-5-3-2-4-6-14/h2-8,13,17,19H,9-12H2,1H3,(H,22,24)/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide?
(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide is sourced from PubChem (CID 136583936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).