5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

C20H25N5O2 — CID 55608009

IUPAC5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1=O
InChIInChI=1S/C20H25N5O2/c1-13(2)25-12-14(11-17(25)26)20(27)23-18-19(24-9-5-6-10-24)22-16-8-4-3-7-15(16)21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,23,27)
InChIKeyQTXQSPRWNSGBQC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds4

About 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 55608009) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
PubChem CID55608009
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1=O
InChIInChI=1S/C20H25N5O2/c1-13(2)25-12-14(11-17(25)26)20(27)23-18-19(24-9-5-6-10-24)22-16-8-4-3-7-15(16)21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,23,27)
InChIKeyQTXQSPRWNSGBQC-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 51653166
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108763854
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
(3R)-N-(2-carbamoylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401166
(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
CID 99582304
methyl 2-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
CID 9401051

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (CID 55608009) is 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is QTXQSPRWNSGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)25-12-14(11-17(25)26)20(27)23-18-19(24-9-5-6-10-24)22-16-8-4-3-7-15(16)21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,23,27).
What are the key properties of 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55608009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).