[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

C26H25N5O4 — CID 11525687

IUPAC[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)N(C)C)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C26H25N5O4/c1-4-31-25(33)24(28-20-14-8-13-19-18(20)12-9-15-27-19)22(26(34)35-16-21(32)30(2)3)23(29-31)17-10-6-5-7-11-17/h5-15,28H,4,16H2,1-3H3
InChIKeyXRQRUIWZNXYPLO-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.47
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate (PubChem CID 11525687) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
PubChem CID11525687
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)N(C)C)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C26H25N5O4/c1-4-31-25(33)24(28-20-14-8-13-19-18(20)12-9-15-27-19)22(26(34)35-16-21(32)30(2)3)23(29-31)17-10-6-5-7-11-17/h5-15,28H,4,16H2,1-3H3
InChIKeyXRQRUIWZNXYPLO-UHFFFAOYSA-N
XLogP3.47
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate with MolForge

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Related Compounds

5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
CID 67109630
5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
CID 67108642
[5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]quinolin-8-yl] hydrogen carbonate
CID 69142730
propanoyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 68897361
acetyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 11676167
ethyl 1-ethyl-3-(4-methylphenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
CID 11653739
3-[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]phenyl]propanoic acid
CID 54761729
2-[[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzoyl]amino]acetic acid
CID 54759364
methyl 2-[[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzoyl]amino]acetate
CID 70053668
5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 69154568
cyclohexyloxycarbonyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 68892834
N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide
CID 54760853

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate (CID 11525687) is [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate is CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)N(C)C)c(Nc2cccc3ncccc23)c1=O.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The InChIKey is XRQRUIWZNXYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-4-31-25(33)24(28-20-14-8-13-19-18(20)12-9-15-27-19)22(26(34)35-16-21(32)30(2)3)23(29-31)17-10-6-5-7-11-17/h5-15,28H,4,16H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate has a molecular weight of 471.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate is sourced from PubChem (CID 11525687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).