ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate

C15H17N3O3 — CID 3074687

IUPACethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate
SMILESCCOC(=O)CN1CCCn2c1nc1ccccc1c2=O
InChIInChI=1S/C15H17N3O3/c1-2-21-13(19)10-17-8-5-9-18-14(20)11-6-3-4-7-12(11)16-15(17)18/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyQIRGNQDVOSVCBI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.17
Rot. Bonds3

About ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate

ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate (PubChem CID 3074687) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate
PubChem CID3074687
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate
SMILESCCOC(=O)CN1CCCn2c1nc1ccccc1c2=O
InChIInChI=1S/C15H17N3O3/c1-2-21-13(19)10-17-8-5-9-18-14(20)11-6-3-4-7-12(11)16-15(17)18/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyQIRGNQDVOSVCBI-UHFFFAOYSA-N
XLogP1.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate (CID 3074687) is ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate is CCOC(=O)CN1CCCn2c1nc1ccccc1c2=O.
What is the InChIKey of ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate?
The InChIKey is QIRGNQDVOSVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-13(19)10-17-8-5-9-18-14(20)11-6-3-4-7-12(11)16-15(17)18/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate?
ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate has a molecular weight of 287.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate is sourced from PubChem (CID 3074687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).