ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

C23H16Cl2N4O4 — CID 71519538

IUPACethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
SMILESCCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C23H16Cl2N4O4/c1-2-33-23(32)17-18(15-10-11-9-12(24)7-8-16(11)27-19(15)25)28-21(30)13-5-3-4-6-14(13)22(31)29(28)20(17)26/h3-10,18H,2,26H2,1H3
InChIKeyZMMFJCHPNZOOJA-UHFFFAOYSA-N
MW483.31 g/mol
LogP3.31
Rot. Bonds3

About ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate (PubChem CID 71519538) has the molecular formula C23H16Cl2N4O4 and a molecular weight of 483.31 g/mol. Its IUPAC name is ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
PubChem CID71519538
Molecular FormulaC23H16Cl2N4O4
Molecular Weight483.31 g/mol
Exact Mass482.05
IUPAC Nameethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
SMILESCCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C23H16Cl2N4O4/c1-2-33-23(32)17-18(15-10-11-9-12(24)7-8-16(11)27-19(15)25)28-21(30)13-5-3-4-6-14(13)22(31)29(28)20(17)26/h3-10,18H,2,26H2,1H3
InChIKeyZMMFJCHPNZOOJA-UHFFFAOYSA-N
XLogP3.31
TPSA109.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(2,4-dichlorophenyl)-3-methyl-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 135564057
3-amino-1-(2-chloro-6-methoxyquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 71519394
ethyl 3-amino-1-(1-butylindol-2-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 132507838
ethyl (2Z,5S)-2-[(3-chlorophenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 92962299
ethyl (4R)-4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7318927
ethyl 4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4891181
ethyl (2E,5R)-2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126153036
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2817097
ethyl 3-(3-chloro-2-methylphenyl)-4-oxophthalazine-1-carboxylate
CID 3778428
ethyl 3-amino-6-chloroquinoline-2-carboxylate;ethyl 6-chloro-3-ethylsulfanylquinoline-2-carboxylate
CID 159825970
ethyl 6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3141895

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The IUPAC name of ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate (CID 71519538) is ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate is CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The InChIKey is ZMMFJCHPNZOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O4/c1-2-33-23(32)17-18(15-10-11-9-12(24)7-8-16(11)27-19(15)25)28-21(30)13-5-3-4-6-14(13)22(31)29(28)20(17)26/h3-10,18H,2,26H2,1H3.
What are the key properties of ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate has a molecular weight of 483.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate is sourced from PubChem (CID 71519538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).