4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane

C17H19N3O3 — CID 170568760

IUPAC4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
SMILESCCC.O=C1CN(C(=O)c2ccc(=O)[nH]c2)c2ccccc2N1
InChIInChI=1S/C14H11N3O3.C3H8/c18-12-6-5-9(7-15-12)14(20)17-8-13(19)16-10-3-1-2-4-11(10)17;1-3-2/h1-7H,8H2,(H,15,18)(H,16,19);3H2,1-2H3
InChIKeyVWRLUGRHHTXGRT-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.39
Rot. Bonds1

About 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane

4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane (PubChem CID 170568760) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane.

Molecular Properties

Compound Name4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
PubChem CID170568760
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
SMILESCCC.O=C1CN(C(=O)c2ccc(=O)[nH]c2)c2ccccc2N1
InChIInChI=1S/C14H11N3O3.C3H8/c18-12-6-5-9(7-15-12)14(20)17-8-13(19)16-10-3-1-2-4-11(10)17;1-3-2/h1-7H,8H2,(H,15,18)(H,16,19);3H2,1-2H3
InChIKeyVWRLUGRHHTXGRT-UHFFFAOYSA-N
XLogP2.39
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane with MolForge

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Related Compounds

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane?
The IUPAC name of 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane (CID 170568760) is 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane.
What is the SMILES notation for 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane?
The canonical SMILES for 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane is CCC.O=C1CN(C(=O)c2ccc(=O)[nH]c2)c2ccccc2N1.
What is the InChIKey of 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane?
The InChIKey is VWRLUGRHHTXGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3.C3H8/c18-12-6-5-9(7-15-12)14(20)17-8-13(19)16-10-3-1-2-4-11(10)17;1-3-2/h1-7H,8H2,(H,15,18)(H,16,19);3H2,1-2H3.
What are the key properties of 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane?
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane has a molecular weight of 313.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane is sourced from PubChem (CID 170568760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).