ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate

C16H15ClN4O4 — CID 18929941

IUPACethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate
SMILESCCOC(=O)CCNc1c2ccc(Cl)cc2nc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C16H15ClN4O4/c1-2-25-11(22)5-6-18-13-9-4-3-8(17)7-10(9)19-14-12(13)15(23)20-21-16(14)24/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,20,23)(H,21,24)
InChIKeyPKYZOWAODWDGHB-UHFFFAOYSA-N
MW362.77 g/mol
LogP1.78
Rot. Bonds5

About ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate

ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate (PubChem CID 18929941) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate
PubChem CID18929941
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC Nameethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate
SMILESCCOC(=O)CCNc1c2ccc(Cl)cc2nc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C16H15ClN4O4/c1-2-25-11(22)5-6-18-13-9-4-3-8(17)7-10(9)19-14-12(13)15(23)20-21-16(14)24/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,20,23)(H,21,24)
InChIKeyPKYZOWAODWDGHB-UHFFFAOYSA-N
XLogP1.78
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
ethyl 3-[(7-chloro-3-nitro-2-oxo-1H-quinolin-4-yl)amino]propanoate
CID 10088592
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
ethyl 2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)acetate
CID 166443613
ethyl 3-(4-chloro-2-iodoanilino)propanoate
CID 107634917
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
ethyl 1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxylate
CID 135543495
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
ethyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanoate
CID 81352239

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate (CID 18929941) is ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate is CCOC(=O)CCNc1c2ccc(Cl)cc2nc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate?
The InChIKey is PKYZOWAODWDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-2-25-11(22)5-6-18-13-9-4-3-8(17)7-10(9)19-14-12(13)15(23)20-21-16(14)24/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,20,23)(H,21,24).
What are the key properties of ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate?
ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate has a molecular weight of 362.77 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7-chloro-1,4-dioxo-2,3-dihydropyridazino[4,5-b]quinolin-10-yl)amino]propanoate is sourced from PubChem (CID 18929941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).