ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate

C29H28ClN3O6 — CID 15942246

IUPACethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C29H28ClN3O6/c1-3-37-27(34)19-32(29(36)39-26-11-7-5-9-24(26)30)18-21-12-14-22(15-13-21)38-17-16-33-20(2)31-25-10-6-4-8-23(25)28(33)35/h4-15H,3,16-19H2,1-2H3
InChIKeyCZPJUHKAOXOEMB-UHFFFAOYSA-N
MW550.01 g/mol
LogP5.00
Rot. Bonds10

About ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate

ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate (PubChem CID 15942246) has the molecular formula C29H28ClN3O6 and a molecular weight of 550.01 g/mol. Its IUPAC name is ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate
PubChem CID15942246
Molecular FormulaC29H28ClN3O6
Molecular Weight550.01 g/mol
Exact Mass549.17
IUPAC Nameethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C29H28ClN3O6/c1-3-37-27(34)19-32(29(36)39-26-11-7-5-9-24(26)30)18-21-12-14-22(15-13-21)38-17-16-33-20(2)31-25-10-6-4-8-23(25)28(33)35/h4-15H,3,16-19H2,1-2H3
InChIKeyCZPJUHKAOXOEMB-UHFFFAOYSA-N
XLogP5.00
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.01
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate (CID 15942246) is ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1)C(=O)Oc1ccccc1Cl.
What is the InChIKey of ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate?
The InChIKey is CZPJUHKAOXOEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O6/c1-3-37-27(34)19-32(29(36)39-26-11-7-5-9-24(26)30)18-21-12-14-22(15-13-21)38-17-16-33-20(2)31-25-10-6-4-8-23(25)28(33)35/h4-15H,3,16-19H2,1-2H3.
What are the key properties of ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate?
ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate has a molecular weight of 550.01 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 15942246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).