7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione

C18H12ClN3O4 — CID 67695030

IUPAC7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
SMILESCOc1ccc(-n2ncc3c(=O)c4ccc(Cl)cc4n(O)c3c2=O)cc1
InChIInChI=1S/C18H12ClN3O4/c1-26-12-5-3-11(4-6-12)21-18(24)16-14(9-20-21)17(23)13-7-2-10(19)8-15(13)22(16)25/h2-9,25H,1H3
InChIKeyPEYYFIYNCQPSNC-UHFFFAOYSA-N
MW369.76 g/mol
LogP2.60
Rot. Bonds2

About 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione

7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione (PubChem CID 67695030) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione.

Molecular Properties

Compound Name7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
PubChem CID67695030
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC Name7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
SMILESCOc1ccc(-n2ncc3c(=O)c4ccc(Cl)cc4n(O)c3c2=O)cc1
InChIInChI=1S/C18H12ClN3O4/c1-26-12-5-3-11(4-6-12)21-18(24)16-14(9-20-21)17(23)13-7-2-10(19)8-15(13)22(16)25/h2-9,25H,1H3
InChIKeyPEYYFIYNCQPSNC-UHFFFAOYSA-N
XLogP2.60
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione?
The IUPAC name of 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione (CID 67695030) is 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione.
What is the SMILES notation for 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione?
The canonical SMILES for 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione is COc1ccc(-n2ncc3c(=O)c4ccc(Cl)cc4n(O)c3c2=O)cc1.
What is the InChIKey of 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione?
The InChIKey is PEYYFIYNCQPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c1-26-12-5-3-11(4-6-12)21-18(24)16-14(9-20-21)17(23)13-7-2-10(19)8-15(13)22(16)25/h2-9,25H,1H3.
What are the key properties of 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione?
7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione has a molecular weight of 369.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione is sourced from PubChem (CID 67695030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).