ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate

C16H21N3O5 — CID 10735519

IUPACethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O
InChIInChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3
InChIKeyFMROUKPWTDHLDR-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.34
Rot. Bonds7

About ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate

ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate (PubChem CID 10735519) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
PubChem CID10735519
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O
InChIInChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3
InChIKeyFMROUKPWTDHLDR-UHFFFAOYSA-N
XLogP1.34
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)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-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The IUPAC name of ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate (CID 10735519) is ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The canonical SMILES for ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate is CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O.
What is the InChIKey of ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
The InChIKey is FMROUKPWTDHLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3.
What are the key properties of ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate?
ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate has a molecular weight of 335.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-amino-6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate is sourced from PubChem (CID 10735519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).