3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

C19H21N5O2S — CID 91951223

IUPAC3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)NCc1nccs1
InChIInChI=1S/C19H21N5O2S/c25-16(21-13-17-20-8-12-27-17)7-11-24-15-6-2-1-5-14(15)22-18(19(24)26)23-9-3-4-10-23/h1-2,5-6,8,12H,3-4,7,9-11,13H2,(H,21,25)
InChIKeyYAXMYIWNSPAUOK-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.16
Rot. Bonds6

About 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 91951223) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID91951223
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)NCc1nccs1
InChIInChI=1S/C19H21N5O2S/c25-16(21-13-17-20-8-12-27-17)7-11-24-15-6-2-1-5-14(15)22-18(19(24)26)23-9-3-4-10-23/h1-2,5-6,8,12H,3-4,7,9-11,13H2,(H,21,25)
InChIKeyYAXMYIWNSPAUOK-UHFFFAOYSA-N
XLogP2.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
CID 91951172
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951351
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951394

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 91951223) is 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is O=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)NCc1nccs1.
What is the InChIKey of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is YAXMYIWNSPAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-16(21-13-17-20-8-12-27-17)7-11-24-15-6-2-1-5-14(15)22-18(19(24)26)23-9-3-4-10-23/h1-2,5-6,8,12H,3-4,7,9-11,13H2,(H,21,25).
What are the key properties of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 383.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 91951223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).