ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate

C24H27N5O5 — CID 11081103

IUPACethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C24H27N5O5/c1-4-34-23(30)16-5-7-17(8-6-16)27-24(31)29-11-9-28(10-12-29)22-18-13-20(32-2)21(33-3)14-19(18)25-15-26-22/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)
InChIKeySBRLCMBVANZVEY-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.18
Rot. Bonds6

About ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate

ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate (PubChem CID 11081103) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate
PubChem CID11081103
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Nameethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C24H27N5O5/c1-4-34-23(30)16-5-7-17(8-6-16)27-24(31)29-11-9-28(10-12-29)22-18-13-20(32-2)21(33-3)14-19(18)25-15-26-22/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)
InChIKeySBRLCMBVANZVEY-UHFFFAOYSA-N
XLogP3.18
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate 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 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate (CID 11081103) is ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCN(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1.
What is the InChIKey of ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate?
The InChIKey is SBRLCMBVANZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-4-34-23(30)16-5-7-17(8-6-16)27-24(31)29-11-9-28(10-12-29)22-18-13-20(32-2)21(33-3)14-19(18)25-15-26-22/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,31).
What are the key properties of ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate?
ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate has a molecular weight of 465.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 11081103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).