(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide

C17H21FN4O2 — CID 167943665

IUPAC(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
SMILESCNC[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(OC)c2cccnc12
InChIInChI=1S/C17H21FN4O2/c1-19-9-12-8-11(18)10-22(12)17(23)21-14-5-6-15(24-2)13-4-3-7-20-16(13)14/h3-7,11-12,19H,8-10H2,1-2H3,(H,21,23)/t11-,12-/m0/s1
InChIKeyYWGZFWYVSZYJAW-RYUDHWBXSA-N
MW332.38 g/mol
LogP2.41
Rot. Bonds4

About (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide

(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide (PubChem CID 167943665) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
PubChem CID167943665
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
SMILESCNC[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(OC)c2cccnc12
InChIInChI=1S/C17H21FN4O2/c1-19-9-12-8-11(18)10-22(12)17(23)21-14-5-6-15(24-2)13-4-3-7-20-16(13)14/h3-7,11-12,19H,8-10H2,1-2H3,(H,21,23)/t11-,12-/m0/s1
InChIKeyYWGZFWYVSZYJAW-RYUDHWBXSA-N
XLogP2.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide (CID 167943665) is (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide is CNC[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(OC)c2cccnc12.
What is the InChIKey of (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The InChIKey is YWGZFWYVSZYJAW-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-19-9-12-8-11(18)10-22(12)17(23)21-14-5-6-15(24-2)13-4-3-7-20-16(13)14/h3-7,11-12,19H,8-10H2,1-2H3,(H,21,23)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-N-(5-methoxyquinolin-8-yl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167943665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).