(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

C29H23N5O4 — CID 11540672

IUPAC(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccncc2)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C29H23N5O4/c1-2-34-28(36)27(32-23-12-6-11-22-21(23)10-7-15-31-22)25(26(33-34)20-8-4-3-5-9-20)29(37)38-18-24(35)19-13-16-30-17-14-19/h3-17,32H,2,18H2,1H3
InChIKeyREUFIMAVCLSMMJ-UHFFFAOYSA-N
MW505.53 g/mol
LogP4.66
Rot. Bonds8

About (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate (PubChem CID 11540672) has the molecular formula C29H23N5O4 and a molecular weight of 505.53 g/mol. Its IUPAC name is (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
PubChem CID11540672
Molecular FormulaC29H23N5O4
Molecular Weight505.53 g/mol
Exact Mass505.18
IUPAC Name(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccncc2)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C29H23N5O4/c1-2-34-28(36)27(32-23-12-6-11-22-21(23)10-7-15-31-22)25(26(33-34)20-8-4-3-5-9-20)29(37)38-18-24(35)19-13-16-30-17-14-19/h3-17,32H,2,18H2,1H3
InChIKeyREUFIMAVCLSMMJ-UHFFFAOYSA-N
XLogP4.66
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The IUPAC name of (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate (CID 11540672) is (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate.
What is the SMILES notation for (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The canonical SMILES for (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate is CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccncc2)c(Nc2cccc3ncccc23)c1=O.
What is the InChIKey of (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
The InChIKey is REUFIMAVCLSMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O4/c1-2-34-28(36)27(32-23-12-6-11-22-21(23)10-7-15-31-22)25(26(33-34)20-8-4-3-5-9-20)29(37)38-18-24(35)19-13-16-30-17-14-19/h3-17,32H,2,18H2,1H3.
What are the key properties of (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate?
(2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate has a molecular weight of 505.53 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyridin-4-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate is sourced from PubChem (CID 11540672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).