7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione

C17H11ClN4O3 — CID 10132844

IUPAC7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH]n(Cc2ccccn2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12
InChIInChI=1S/C17H11ClN4O3/c18-9-4-5-11-12(7-9)20-14-13(15(11)23)17(25)22(21-16(14)24)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,20,23)(H,21,24)
InChIKeyHCXLFCARRRQPOB-UHFFFAOYSA-N
MW354.75 g/mol
LogP1.63
Rot. Bonds2

About 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione

7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (PubChem CID 10132844) has the molecular formula C17H11ClN4O3 and a molecular weight of 354.75 g/mol. Its IUPAC name is 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.

Molecular Properties

Compound Name7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
PubChem CID10132844
Molecular FormulaC17H11ClN4O3
Molecular Weight354.75 g/mol
Exact Mass354.05
IUPAC Name7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH]n(Cc2ccccn2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12
InChIInChI=1S/C17H11ClN4O3/c18-9-4-5-11-12(7-9)20-14-13(15(11)23)17(25)22(21-16(14)24)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,20,23)(H,21,24)
InChIKeyHCXLFCARRRQPOB-UHFFFAOYSA-N
XLogP1.63
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione 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 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The IUPAC name of 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (CID 10132844) is 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.
What is the SMILES notation for 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The canonical SMILES for 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is O=c1[nH]n(Cc2ccccn2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12.
What is the InChIKey of 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The InChIKey is HCXLFCARRRQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3/c18-9-4-5-11-12(7-9)20-14-13(15(11)23)17(25)22(21-16(14)24)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,20,23)(H,21,24).
What are the key properties of 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione has a molecular weight of 354.75 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(pyridin-2-ylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is sourced from PubChem (CID 10132844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).