2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

C20H23N3O3 — CID 135106936

IUPAC2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O3/c24-19(20(25)23-9-3-4-10-23)22-18-13-26-12-15(18)11-14-7-8-21-17-6-2-1-5-16(14)17/h1-2,5-8,15,18H,3-4,9-13H2,(H,22,24)/t15-,18-/m1/s1
InChIKeyGVBKQZKECFQKPX-CRAIPNDOSA-N
MW353.42 g/mol
LogP1.53
Rot. Bonds3

About 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135106936) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135106936
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O3/c24-19(20(25)23-9-3-4-10-23)22-18-13-26-12-15(18)11-14-7-8-21-17-6-2-1-5-16(14)17/h1-2,5-8,15,18H,3-4,9-13H2,(H,22,24)/t15-,18-/m1/s1
InChIKeyGVBKQZKECFQKPX-CRAIPNDOSA-N
XLogP1.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135106936) is 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is GVBKQZKECFQKPX-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(20(25)23-9-3-4-10-23)22-18-13-26-12-15(18)11-14-7-8-21-17-6-2-1-5-16(14)17/h1-2,5-8,15,18H,3-4,9-13H2,(H,22,24)/t15-,18-/m1/s1.
What are the key properties of 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135106936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).