3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide

C18H18N4O2 — CID 110743916

IUPAC3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccncc1
InChIInChI=1S/C18H18N4O2/c1-12(13-8-10-19-11-9-13)20-17(23)7-6-16-18(24)22-15-5-3-2-4-14(15)21-16/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,22,24)
InChIKeyFSHOSRMQUNHPMD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.13
Rot. Bonds5

About 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide

3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 110743916) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID110743916
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccncc1
InChIInChI=1S/C18H18N4O2/c1-12(13-8-10-19-11-9-13)20-17(23)7-6-16-18(24)22-15-5-3-2-4-14(15)21-16/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,22,24)
InChIKeyFSHOSRMQUNHPMD-UHFFFAOYSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 19164914
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
methyl 4-methylsulfanyl-2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]butanoate
CID 163060626
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide (CID 110743916) is 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccncc1.
What is the InChIKey of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is FSHOSRMQUNHPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(13-8-10-19-11-9-13)20-17(23)7-6-16-18(24)22-15-5-3-2-4-14(15)21-16/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide?
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 110743916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).