5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide

C21H24N4O2 — CID 131943338

IUPAC5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CC1=O
InChIInChI=1S/C21H24N4O2/c1-2-10-25-14-15(13-19(25)26)21(27)23-17-7-8-18(24-11-3-4-12-24)20-16(17)6-5-9-22-20/h2,5-9,15H,1,3-4,10-14H2,(H,23,27)
InChIKeyGCCWOZZCXLKGHT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.81
Rot. Bonds5

About 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide

5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide (PubChem CID 131943338) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
PubChem CID131943338
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CC1=O
InChIInChI=1S/C21H24N4O2/c1-2-10-25-14-15(13-19(25)26)21(27)23-17-7-8-18(24-11-3-4-12-24)20-16(17)6-5-9-22-20/h2,5-9,15H,1,3-4,10-14H2,(H,23,27)
InChIKeyGCCWOZZCXLKGHT-UHFFFAOYSA-N
XLogP2.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
(3S)-5-oxo-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51589061
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131908303
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131898446

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide (CID 131943338) is 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide is C=CCN1CC(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CC1=O.
What is the InChIKey of 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is GCCWOZZCXLKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-10-25-14-15(13-19(25)26)21(27)23-17-7-8-18(24-11-3-4-12-24)20-16(17)6-5-9-22-20/h2,5-9,15H,1,3-4,10-14H2,(H,23,27).
What are the key properties of 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide?
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131943338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).