methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate

C20H20N2O5 — CID 2216531

IUPACmethyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-25-20(24)15-6-8-16(9-7-15)27-13-12-26-11-10-22-14-21-18-5-3-2-4-17(18)19(22)23/h2-9,14H,10-13H2,1H3
InChIKeyCKJJTLCCKITICL-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.28
Rot. Bonds8

About methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate

methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate (PubChem CID 2216531) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
PubChem CID2216531
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-25-20(24)15-6-8-16(9-7-15)27-13-12-26-11-10-22-14-21-18-5-3-2-4-17(18)19(22)23/h2-9,14H,10-13H2,1H3
InChIKeyCKJJTLCCKITICL-UHFFFAOYSA-N
XLogP2.28
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2216206
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
oxalic acid;3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one
CID 2924209
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
3-(4-oxoquinazolin-3-yl)propyl 3-butoxybenzoate
CID 30338475
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758
3-propylquinazolin-4-one
CID 529124
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate (CID 2216531) is methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate is COC(=O)c1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate?
The InChIKey is CKJJTLCCKITICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-20(24)15-6-8-16(9-7-15)27-13-12-26-11-10-22-14-21-18-5-3-2-4-17(18)19(22)23/h2-9,14H,10-13H2,1H3.
What are the key properties of methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate?
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate is sourced from PubChem (CID 2216531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).