2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide

C17H21N3O3 — CID 146113582

IUPAC2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide
SMILESCOc1ccc2cccnc2c1CNC(=O)C[C@@H]1CNC[C@H]1O
InChIInChI=1S/C17H21N3O3/c1-23-15-5-4-11-3-2-6-19-17(11)13(15)9-20-16(22)7-12-8-18-10-14(12)21/h2-6,12,14,18,21H,7-10H2,1H3,(H,20,22)/t12-,14-/m1/s1
InChIKeyJGADAZWIKQLIEX-TZMCWYRMSA-N
MW315.37 g/mol
LogP0.83
Rot. Bonds5

About 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide

2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide (PubChem CID 146113582) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide
PubChem CID146113582
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide
SMILESCOc1ccc2cccnc2c1CNC(=O)C[C@@H]1CNC[C@H]1O
InChIInChI=1S/C17H21N3O3/c1-23-15-5-4-11-3-2-6-19-17(11)13(15)9-20-16(22)7-12-8-18-10-14(12)21/h2-6,12,14,18,21H,7-10H2,1H3,(H,20,22)/t12-,14-/m1/s1
InChIKeyJGADAZWIKQLIEX-TZMCWYRMSA-N
XLogP0.83
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide?
The IUPAC name of 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide (CID 146113582) is 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide is COc1ccc2cccnc2c1CNC(=O)C[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide?
The InChIKey is JGADAZWIKQLIEX-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-15-5-4-11-3-2-6-19-17(11)13(15)9-20-16(22)7-12-8-18-10-14(12)21/h2-6,12,14,18,21H,7-10H2,1H3,(H,20,22)/t12-,14-/m1/s1.
What are the key properties of 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide?
2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N-[(7-methoxyquinolin-8-yl)methyl]acetamide is sourced from PubChem (CID 146113582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).