N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C19H22N4O2S — CID 72931706

IUPACN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCCc1nc(C)c(CNC(=O)CCc2nc3ccccc3[nH]c2=O)s1
InChIInChI=1S/C19H22N4O2S/c1-3-6-18-21-12(2)16(26-18)11-20-17(24)10-9-15-19(25)23-14-8-5-4-7-13(14)22-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,23,25)
InChIKeySZRTWZPWGIBVKL-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.89
Rot. Bonds7

About N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 72931706) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID72931706
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCCc1nc(C)c(CNC(=O)CCc2nc3ccccc3[nH]c2=O)s1
InChIInChI=1S/C19H22N4O2S/c1-3-6-18-21-12(2)16(26-18)11-20-17(24)10-9-15-19(25)23-14-8-5-4-7-13(14)22-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,23,25)
InChIKeySZRTWZPWGIBVKL-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110671148
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 72931706) is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCCc1nc(C)c(CNC(=O)CCc2nc3ccccc3[nH]c2=O)s1.
What is the InChIKey of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is SZRTWZPWGIBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-6-18-21-12(2)16(26-18)11-20-17(24)10-9-15-19(25)23-14-8-5-4-7-13(14)22-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,23,25).
What are the key properties of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 370.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 72931706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).