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

C16H16N4O — CID 168521739

IUPAC2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C16H16N4O/c17-8-7-15(21)19-13-5-6-14(20-10-1-2-11-20)16-12(13)4-3-9-18-16/h3-6,9H,1-2,7,10-11H2,(H,19,21)
InChIKeyMHSJVFZLPAYTSY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds3

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

2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (PubChem CID 168521739) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
PubChem CID168521739
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C16H16N4O/c17-8-7-15(21)19-13-5-6-14(20-10-1-2-11-20)16-12(13)4-3-9-18-16/h3-6,9H,1-2,7,10-11H2,(H,19,21)
InChIKeyMHSJVFZLPAYTSY-UHFFFAOYSA-N
XLogP2.69
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131898446
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131951504
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631
2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
CID 168521448
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131908303
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
CID 47055801

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (CID 168521739) is 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is N#CCC(=O)Nc1ccc(N2CCCC2)c2ncccc12.
What is the InChIKey of 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The InChIKey is MHSJVFZLPAYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-8-7-15(21)19-13-5-6-14(20-10-1-2-11-20)16-12(13)4-3-9-18-16/h3-6,9H,1-2,7,10-11H2,(H,19,21).
What are the key properties of 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is sourced from PubChem (CID 168521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).