N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C24H18N4O2S — CID 108733420

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C24H18N4O2S/c29-22(12-11-20-23(30)26-19-8-4-3-7-18(19)25-20)28-24-27-21(14-31-24)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2,(H,26,30)(H,27,28,29)
InChIKeyWBKVGZYFXJEKLI-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.77
Rot. Bonds5

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 108733420) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID108733420
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C24H18N4O2S/c29-22(12-11-20-23(30)26-19-8-4-3-7-18(19)25-20)28-24-27-21(14-31-24)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2,(H,26,30)(H,27,28,29)
InChIKeyWBKVGZYFXJEKLI-UHFFFAOYSA-N
XLogP4.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
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N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108725415
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N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
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3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 24505889
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164773
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 108733420) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is WBKVGZYFXJEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-22(12-11-20-23(30)26-19-8-4-3-7-18(19)25-20)28-24-27-21(14-31-24)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2,(H,26,30)(H,27,28,29).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 426.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 108733420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).