[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate

C24H23N3O4 — CID 4964057

IUPAC[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCC(OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H23N3O4/c1-17(23(29)26-15-7-11-19-10-5-6-12-21(19)26)31-24(30)20-13-14-22(28)27(25-20)16-18-8-3-2-4-9-18/h2-6,8-10,12-14,17H,7,11,15-16H2,1H3
InChIKeyJXPWLBGRUQZMNG-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.82
Rot. Bonds5

About [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate (PubChem CID 4964057) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
PubChem CID4964057
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCC(OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H23N3O4/c1-17(23(29)26-15-7-11-19-10-5-6-12-21(19)26)31-24(30)20-13-14-22(28)27(25-20)16-18-8-3-2-4-9-18/h2-6,8-10,12-14,17H,7,11,15-16H2,1H3
InChIKeyJXPWLBGRUQZMNG-UHFFFAOYSA-N
XLogP2.82
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 29246718
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 29246800
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2103722
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 42972197
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 2426464
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18157994
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23972121
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18158044
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 46797055
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809519

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate (CID 4964057) is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate is CC(OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The InChIKey is JXPWLBGRUQZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-17(23(29)26-15-7-11-19-10-5-6-12-21(19)26)31-24(30)20-13-14-22(28)27(25-20)16-18-8-3-2-4-9-18/h2-6,8-10,12-14,17H,7,11,15-16H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 4964057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).