(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C17H22N4O2 — CID 56712096

IUPAC(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc2cccc(OC)c2n1
InChIInChI=1S/C17H22N4O2/c1-19-17(22)14-8-12(18)9-21(14)10-13-7-6-11-4-3-5-15(23-2)16(11)20-13/h3-7,12,14H,8-10,18H2,1-2H3,(H,19,22)/t12-,14+/m1/s1
InChIKeyXWFUZHRUOUSXNT-OCCSQVGLSA-N
MW314.39 g/mol
LogP0.89
Rot. Bonds4

About (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56712096) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56712096
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc2cccc(OC)c2n1
InChIInChI=1S/C17H22N4O2/c1-19-17(22)14-8-12(18)9-21(14)10-13-7-6-11-4-3-5-15(23-2)16(11)20-13/h3-7,12,14H,8-10,18H2,1-2H3,(H,19,22)/t12-,14+/m1/s1
InChIKeyXWFUZHRUOUSXNT-OCCSQVGLSA-N
XLogP0.89
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 56712096) is (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc2cccc(OC)c2n1.
What is the InChIKey of (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XWFUZHRUOUSXNT-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19-17(22)14-8-12(18)9-21(14)10-13-7-6-11-4-3-5-15(23-2)16(11)20-13/h3-7,12,14H,8-10,18H2,1-2H3,(H,19,22)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[(8-methoxyquinolin-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56712096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).