quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate

C22H19N3O3 — CID 139543960

IUPACquinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)Oc2ccc3cccnc3c2)n2ccnc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-18-7-5-17(6-8-18)21(25-12-11-23-15-25)14-22(26)28-19-9-4-16-3-2-10-24-20(16)13-19/h2-13,15,21H,14H2,1H3
InChIKeyJISUKSQEUINMLV-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.03
Rot. Bonds6

About quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate

quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate (PubChem CID 139543960) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namequinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate
PubChem CID139543960
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Namequinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)Oc2ccc3cccnc3c2)n2ccnc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-18-7-5-17(6-8-18)21(25-12-11-23-15-25)14-22(26)28-19-9-4-16-3-2-10-24-20(16)13-19/h2-13,15,21H,14H2,1H3
InChIKeyJISUKSQEUINMLV-UHFFFAOYSA-N
XLogP4.03
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate 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

quinolin-7-yl 3,5-dihydroxyhept-6-enoate
CID 22172773
3-[3-(3-imidazol-1-yl-3-phenylpropanoyl)oxyphenyl]-3-(2-methylimidazol-1-yl)propanoic acid
CID 146582382
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
3-[4-(butoxymethoxy)phenyl]-3-imidazol-1-ylpropanoic acid
CID 135232097
methyl 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxypropanoate
CID 11639524
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
3-imidazol-1-yl-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;methyl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate;methyl 1-(3-methoxy-3-oxo-1-phenylpropyl)imidazole-4-carboxylate
CID 160516291
2-methoxy-1-quinolin-7-ylpropan-1-amine
CID 81232148
7-(dichloromethoxy)quinoline
CID 174788382
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate?
The IUPAC name of quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate (CID 139543960) is quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate is COc1ccc(C(CC(=O)Oc2ccc3cccnc3c2)n2ccnc2)cc1.
What is the InChIKey of quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate?
The InChIKey is JISUKSQEUINMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-18-7-5-17(6-8-18)21(25-12-11-23-15-25)14-22(26)28-19-9-4-16-3-2-10-24-20(16)13-19/h2-13,15,21H,14H2,1H3.
What are the key properties of quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate?
quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate has a molecular weight of 373.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 139543960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).