3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one

C30H25N3O5 — CID 86605180

IUPAC3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
SMILESCOc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCC(=O)n1ccnc1
InChIInChI=1S/C30H25N3O5/c1-20-8-9-25(23(16-20)30(35)21-6-4-3-5-7-21)38-26-10-12-32-24-18-28(27(36-2)17-22(24)26)37-15-11-29(34)33-14-13-31-19-33/h3-10,12-14,16-19H,11,15H2,1-2H3
InChIKeyHTXKDCZSAMLINR-UHFFFAOYSA-N
MW507.55 g/mol
LogP5.88
Rot. Bonds9

About 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one

3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one (PubChem CID 86605180) has the molecular formula C30H25N3O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
PubChem CID86605180
Molecular FormulaC30H25N3O5
Molecular Weight507.55 g/mol
Exact Mass507.18
IUPAC Name3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
SMILESCOc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCC(=O)n1ccnc1
InChIInChI=1S/C30H25N3O5/c1-20-8-9-25(23(16-20)30(35)21-6-4-3-5-7-21)38-26-10-12-32-24-18-28(27(36-2)17-22(24)26)37-15-11-29(34)33-14-13-31-19-33/h3-10,12-14,16-19H,11,15H2,1-2H3
InChIKeyHTXKDCZSAMLINR-UHFFFAOYSA-N
XLogP5.88
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one with MolForge

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Related Compounds

[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87592843
[2-[7-(4-chlorobutoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[6-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]quinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87591071
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
[2-[7-(2-chloroethoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[6-methoxy-7-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87590964
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
N-[[3-fluoro-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-phenylacetamide
CID 22935495
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
N-[3-fluoro-4-[7-[4-(hydroxyamino)-4-oxobutoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 162663981
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one (CID 86605180) is 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one is COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCC(=O)n1ccnc1.
What is the InChIKey of 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one?
The InChIKey is HTXKDCZSAMLINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O5/c1-20-8-9-25(23(16-20)30(35)21-6-4-3-5-7-21)38-26-10-12-32-24-18-28(27(36-2)17-22(24)26)37-15-11-29(34)33-14-13-31-19-33/h3-10,12-14,16-19H,11,15H2,1-2H3.
What are the key properties of 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one?
3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one has a molecular weight of 507.55 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 86605180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).