2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone

C31H25F2N3O5 — CID 167708690

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4nnc(C)c(-c5ccc(F)cc5)c4OC)cc3F)c2cc1OC
InChIInChI=1S/C31H25F2N3O5/c1-17-29(19-6-8-20(32)9-7-19)31(40-4)30(36-35-17)24(37)14-18-5-10-26(22(33)13-18)41-25-11-12-34-23-16-28(39-3)27(38-2)15-21(23)25/h5-13,15-16H,14H2,1-4H3
InChIKeyZMMGQZRDKUQKSR-UHFFFAOYSA-N
MW557.55 g/mol
LogP6.52
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone (PubChem CID 167708690) has the molecular formula C31H25F2N3O5 and a molecular weight of 557.55 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone
PubChem CID167708690
Molecular FormulaC31H25F2N3O5
Molecular Weight557.55 g/mol
Exact Mass557.18
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4nnc(C)c(-c5ccc(F)cc5)c4OC)cc3F)c2cc1OC
InChIInChI=1S/C31H25F2N3O5/c1-17-29(19-6-8-20(32)9-7-19)31(40-4)30(36-35-17)24(37)14-18-5-10-26(22(33)13-18)41-25-11-12-34-23-16-28(39-3)27(38-2)15-21(23)25/h5-13,15-16H,14H2,1-4H3
InChIKeyZMMGQZRDKUQKSR-UHFFFAOYSA-N
XLogP6.52
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-ethyl-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167691499
3-bromo-5-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-hydroxypyridin-2-one
CID 163413234
3-[4-[2-fluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]oxypropanal
CID 165009767
1-(difluoromethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167639336
2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1-[6-(4-fluorophenyl)-5-methylpyrazin-2-yl]ethanone
CID 167668825
6-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-methylphenyl)-5-sulfanylidenehexan-3-one
CID 58249600
methyl 3-[3-[4-[2-fluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]oxypropylamino]propanoate
CID 157288765
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-methylcyclohexyl)-4-sulfanylidenepentan-2-one
CID 58249526
1-[1-[2-[3-fluoro-4-[6-methoxy-7-[(E)-6-sulfanylhex-3-enoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 164989958
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
2-(4-fluorophenyl)-1-[1-[2-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxy-3-methoxyphenyl]acetyl]cyclopropyl]ethanone
CID 165058470
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone (CID 167708690) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone is COc1cc2nccc(Oc3ccc(CC(=O)c4nnc(C)c(-c5ccc(F)cc5)c4OC)cc3F)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone?
The InChIKey is ZMMGQZRDKUQKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O5/c1-17-29(19-6-8-20(32)9-7-19)31(40-4)30(36-35-17)24(37)14-18-5-10-26(22(33)13-18)41-25-11-12-34-23-16-28(39-3)27(38-2)15-21(23)25/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone has a molecular weight of 557.55 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[5-(4-fluorophenyl)-4-methoxy-6-methylpyridazin-3-yl]ethanone is sourced from PubChem (CID 167708690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).