N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H21N5O2 — CID 110742757

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1cc(C)n(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C18H21N5O2/c1-12-11-13(2)23(22-12)10-9-19-17(24)8-7-16-18(25)21-15-6-4-3-5-14(15)20-16/h3-6,11H,7-10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyJTIKFLKZXQPZJV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110742757) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110742757
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1cc(C)n(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C18H21N5O2/c1-12-11-13(2)23(22-12)10-9-19-17(24)8-7-16-18(25)21-15-6-4-3-5-14(15)20-16/h3-6,11H,7-10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyJTIKFLKZXQPZJV-UHFFFAOYSA-N
XLogP1.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110671148
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 56713228
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
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110742757) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1cc(C)n(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is JTIKFLKZXQPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-11-13(2)23(22-12)10-9-19-17(24)8-7-16-18(25)21-15-6-4-3-5-14(15)20-16/h3-6,11H,7-10H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110742757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).