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

C18H12Cl2N4O3 — CID 91097737

IUPAC7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH]n(CCc2cccnc2Cl)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12
InChIInChI=1S/C18H12Cl2N4O3/c19-10-3-4-11-12(8-10)22-14-13(15(11)25)18(27)24(23-17(14)26)7-5-9-2-1-6-21-16(9)20/h1-4,6,8H,5,7H2,(H,22,25)(H,23,26)
InChIKeyJRLJTJXUFQJSQZ-UHFFFAOYSA-N
MW403.23 g/mol
LogP2.48
Rot. Bonds3

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

7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (PubChem CID 91097737) has the molecular formula C18H12Cl2N4O3 and a molecular weight of 403.23 g/mol. Its IUPAC name is 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.

Molecular Properties

Compound Name7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
PubChem CID91097737
Molecular FormulaC18H12Cl2N4O3
Molecular Weight403.23 g/mol
Exact Mass402.03
IUPAC Name7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH]n(CCc2cccnc2Cl)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12
InChIInChI=1S/C18H12Cl2N4O3/c19-10-3-4-11-12(8-10)22-14-13(15(11)25)18(27)24(23-17(14)26)7-5-9-2-1-6-21-16(9)20/h1-4,6,8H,5,7H2,(H,22,25)(H,23,26)
InChIKeyJRLJTJXUFQJSQZ-UHFFFAOYSA-N
XLogP2.48
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 10295135
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CID 22006279
1-[4-[(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)methyl]phenyl]-3-phenylurea
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7-chloro-2-[4-(sulfonylmethyl)phenyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
CID 23215624
3-[(2-chloro-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione
CID 62470415
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CID 23215621
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CID 22006225
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
methyl 4-[1-(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)ethyl]benzoate
CID 10180799
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The IUPAC name of 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (CID 91097737) is 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.
What is the SMILES notation for 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The canonical SMILES for 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is O=c1[nH]n(CCc2cccnc2Cl)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12.
What is the InChIKey of 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The InChIKey is JRLJTJXUFQJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O3/c19-10-3-4-11-12(8-10)22-14-13(15(11)25)18(27)24(23-17(14)26)7-5-9-2-1-6-21-16(9)20/h1-4,6,8H,5,7H2,(H,22,25)(H,23,26).
What are the key properties of 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione has a molecular weight of 403.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(2-chloro-3-pyridinyl)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is sourced from PubChem (CID 91097737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).