2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

C19H21N5O — CID 131896819

IUPAC2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C19H21N5O/c1-14-20-9-12-24(14)13-18(25)22-16-6-7-17(23-10-2-3-11-23)19-15(16)5-4-8-21-19/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)
InChIKeyWCMZKIBBHQCQGN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (PubChem CID 131896819) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
PubChem CID131896819
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C19H21N5O/c1-14-20-9-12-24(14)13-18(25)22-16-6-7-17(23-10-2-3-11-23)19-15(16)5-4-8-21-19/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)
InChIKeyWCMZKIBBHQCQGN-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (CID 131896819) is 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is Cc1nccn1CC(=O)Nc1ccc(N2CCCC2)c2ncccc12.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The InChIKey is WCMZKIBBHQCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-20-9-12-24(14)13-18(25)22-16-6-7-17(23-10-2-3-11-23)19-15(16)5-4-8-21-19/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is sourced from PubChem (CID 131896819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).