ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate

C14H15N3O3 — CID 3074686

IUPACethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)N1CCCn2c1nc1ccccc1c2=O
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyDKEDSGOHEPZQSR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.76
Rot. Bonds1

About ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate

ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate (PubChem CID 3074686) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate
PubChem CID3074686
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)N1CCCn2c1nc1ccccc1c2=O
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyDKEDSGOHEPZQSR-UHFFFAOYSA-N
XLogP1.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate 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 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate?
The IUPAC name of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate (CID 3074686) is ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate.
What is the SMILES notation for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate?
The canonical SMILES for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate is CCOC(=O)N1CCCn2c1nc1ccccc1c2=O.
What is the InChIKey of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate?
The InChIKey is DKEDSGOHEPZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate?
ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate is sourced from PubChem (CID 3074686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).