ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate

C20H21N3O2 — CID 11724504

IUPACethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-2-25-18(24)13-8-14-21-20-16-11-6-7-12-17(16)22-19(23-20)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22,23)
InChIKeySGHLOCCJNIPVCW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.05
Rot. Bonds7

About ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate

ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate (PubChem CID 11724504) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate
PubChem CID11724504
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Nameethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-2-25-18(24)13-8-14-21-20-16-11-6-7-12-17(16)22-19(23-20)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22,23)
InChIKeySGHLOCCJNIPVCW-UHFFFAOYSA-N
XLogP4.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate 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-[(2-phenylquinazolin-4-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate (CID 11724504) is ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate is CCOC(=O)CCCNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate?
The InChIKey is SGHLOCCJNIPVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-18(24)13-8-14-21-20-16-11-6-7-12-17(16)22-19(23-20)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22,23).
What are the key properties of ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate?
ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate has a molecular weight of 335.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-phenylquinazolin-4-yl)amino]butanoate is sourced from PubChem (CID 11724504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).