4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

C20H18N4O3 — CID 4884436

IUPAC4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1
InChIInChI=1S/C20H18N4O3/c1-13-5-4-6-14(11-13)24-19(26)10-9-16(22-24)20(27)23-12-18(25)21-15-7-2-3-8-17(15)23/h2-8,11H,9-10,12H2,1H3,(H,21,25)
InChIKeySOKMLGQJNAJECL-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.46
Rot. Bonds2

About 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 4884436) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID4884436
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1
InChIInChI=1S/C20H18N4O3/c1-13-5-4-6-14(11-13)24-19(26)10-9-16(22-24)20(27)23-12-18(25)21-15-7-2-3-8-17(15)23/h2-8,11H,9-10,12H2,1H3,(H,21,25)
InChIKeySOKMLGQJNAJECL-UHFFFAOYSA-N
XLogP2.46
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 4884436) is 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is Cc1cccc(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1.
What is the InChIKey of 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SOKMLGQJNAJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-5-4-6-14(11-13)24-19(26)10-9-16(22-24)20(27)23-12-18(25)21-15-7-2-3-8-17(15)23/h2-8,11H,9-10,12H2,1H3,(H,21,25).
What are the key properties of 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 362.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4884436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).