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

C18H12ClN3O4 — CID 22006225

IUPAC7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESCOc1cccc(-n2[nH]c(=O)c3c(=O)c4ccc(Cl)cc4[nH]c3c2=O)c1
InChIInChI=1S/C18H12ClN3O4/c1-26-11-4-2-3-10(8-11)22-18(25)15-14(17(24)21-22)16(23)12-6-5-9(19)7-13(12)20-15/h2-8H,1H3,(H,20,23)(H,21,24)
InChIKeyXJWKXFWITSGQMC-UHFFFAOYSA-N
MW369.76 g/mol
LogP2.18
Rot. Bonds2

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

7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (PubChem CID 22006225) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.

Molecular Properties

Compound Name7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
PubChem CID22006225
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC Name7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
SMILESCOc1cccc(-n2[nH]c(=O)c3c(=O)c4ccc(Cl)cc4[nH]c3c2=O)c1
InChIInChI=1S/C18H12ClN3O4/c1-26-11-4-2-3-10(8-11)22-18(25)15-14(17(24)21-22)16(23)12-6-5-9(19)7-13(12)20-15/h2-8H,1H3,(H,20,23)(H,21,24)
InChIKeyXJWKXFWITSGQMC-UHFFFAOYSA-N
XLogP2.18
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-[4-(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)phenyl] methanethioate
CID 23215621
7-chloro-2-[2-(4-methoxyanilino)ethyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
CID 22006279
sodium 7-chloro-2-(4-methoxy-2-methylphenyl)-1,10-dioxo-5H-pyridazino[4,5-b]quinolin-4-olate
CID 23697239
8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
CID 18980002
[7-chloro-2-[1-(6-methyl-2-pyridinyl)ethyl]-1,10-dioxo-5H-pyridazino[4,5-b]quinolin-4-yl] methanesulfonate
CID 91516685
methyl 4-[1-(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)ethyl]benzoate
CID 10180799
7-chloro-2-[(4-methoxyphenyl)methyl]-4,10-dioxo-5H-pyrazolo[3,4-c][1]benzazepine-1-carbaldehyde
CID 18358913
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 22425128
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione
CID 101011150
7-chloro-2-[3-(2-chlorophenyl)prop-2-ynyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
CID 10295135

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The IUPAC name of 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione (CID 22006225) is 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione.
What is the SMILES notation for 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The canonical SMILES for 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is COc1cccc(-n2[nH]c(=O)c3c(=O)c4ccc(Cl)cc4[nH]c3c2=O)c1.
What is the InChIKey of 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
The InChIKey is XJWKXFWITSGQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c1-26-11-4-2-3-10(8-11)22-18(25)15-14(17(24)21-22)16(23)12-6-5-9(19)7-13(12)20-15/h2-8H,1H3,(H,20,23)(H,21,24).
What are the key properties of 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione?
7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione has a molecular weight of 369.76 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methoxyphenyl)-2,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione is sourced from PubChem (CID 22006225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).