4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide

C23H23N5O3S — CID 56520040

IUPAC4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide
SMILESO=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H23N5O3S/c29-20(7-8-23(31)28-14-21(30)26-17-4-1-2-5-19(17)28)25-11-3-6-22-27-18(15-32-22)16-9-12-24-13-10-16/h1-2,4-5,9-10,12-13,15H,3,6-8,11,14H2,(H,25,29)(H,26,30)
InChIKeyCIABGMMXOYPJNP-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.02
Rot. Bonds8

About 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide

4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide (PubChem CID 56520040) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide
PubChem CID56520040
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide
SMILESO=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H23N5O3S/c29-20(7-8-23(31)28-14-21(30)26-17-4-1-2-5-19(17)28)25-11-3-6-22-27-18(15-32-22)16-9-12-24-13-10-16/h1-2,4-5,9-10,12-13,15H,3,6-8,11,14H2,(H,25,29)(H,26,30)
InChIKeyCIABGMMXOYPJNP-UHFFFAOYSA-N
XLogP3.02
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 99146547
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 38284256
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide?
The IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide (CID 56520040) is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide.
What is the SMILES notation for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide?
The canonical SMILES for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide is O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide?
The InChIKey is CIABGMMXOYPJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c29-20(7-8-23(31)28-14-21(30)26-17-4-1-2-5-19(17)28)25-11-3-6-22-27-18(15-32-22)16-9-12-24-13-10-16/h1-2,4-5,9-10,12-13,15H,3,6-8,11,14H2,(H,25,29)(H,26,30).
What are the key properties of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide?
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide has a molecular weight of 449.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide is sourced from PubChem (CID 56520040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).