ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate

C30H31NO4 — CID 20597952

IUPACethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C30H31NO4/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26/h3-5,7-8,11-14,16-20H,2,6,9-10,15,21-22H2,1H3
InChIKeyWJBBGNXLNMMXEN-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.67
Rot. Bonds12

About ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate

ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate (PubChem CID 20597952) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate
PubChem CID20597952
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Nameethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C30H31NO4/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26/h3-5,7-8,11-14,16-20H,2,6,9-10,15,21-22H2,1H3
InChIKeyWJBBGNXLNMMXEN-UHFFFAOYSA-N
XLogP6.67
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate 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

ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
ethyl 2-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]acetate
CID 19087777
ethyl (2S)-2-[6-[6-[3,4-bis(phenylmethoxy)phenyl]hexoxy]naphthalen-2-yl]propanoate
CID 15086674
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087783
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The IUPAC name of ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate (CID 20597952) is ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate.
What is the SMILES notation for ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The canonical SMILES for ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate is CCOC(=O)CCCCc1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The InChIKey is WJBBGNXLNMMXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26/h3-5,7-8,11-14,16-20H,2,6,9-10,15,21-22H2,1H3.
What are the key properties of ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate?
ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate has a molecular weight of 469.58 g/mol, XLogP of 6.67, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate is sourced from PubChem (CID 20597952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).