N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C17H16N4O2 — CID 19164738

IUPACN-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)CCc2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-8-9-18-15(10-11)21-16(22)7-6-14-17(23)20-13-5-3-2-4-12(13)19-14/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,21,22)
InChIKeyOSQLSRZJSWZLDT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 19164738) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID19164738
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)CCc2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-8-9-18-15(10-11)21-16(22)7-6-14-17(23)20-13-5-3-2-4-12(13)19-14/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,21,22)
InChIKeyOSQLSRZJSWZLDT-UHFFFAOYSA-N
XLogP2.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 19164738) is N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1ccnc(NC(=O)CCc2nc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is OSQLSRZJSWZLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-8-9-18-15(10-11)21-16(22)7-6-14-17(23)20-13-5-3-2-4-12(13)19-14/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,21,22).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 19164738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).