ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate

C15H16N4O3 — CID 150471302

IUPACethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2n1CCc1cnc(NC(C)=O)nc1-2
InChIInChI=1S/C15H16N4O3/c1-3-22-14(21)12-5-4-11-13-10(6-7-19(11)12)8-16-15(18-13)17-9(2)20/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyHRVUHPKYPVVBMH-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.64
Rot. Bonds3

About ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate

ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate (PubChem CID 150471302) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
PubChem CID150471302
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Nameethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2n1CCc1cnc(NC(C)=O)nc1-2
InChIInChI=1S/C15H16N4O3/c1-3-22-14(21)12-5-4-11-13-10(6-7-19(11)12)8-16-15(18-13)17-9(2)20/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyHRVUHPKYPVVBMH-UHFFFAOYSA-N
XLogP1.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The IUPAC name of ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate (CID 150471302) is ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate is CCOC(=O)c1ccc2n1CCc1cnc(NC(C)=O)nc1-2.
What is the InChIKey of ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The InChIKey is HRVUHPKYPVVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-22-14(21)12-5-4-11-13-10(6-7-19(11)12)8-16-15(18-13)17-9(2)20/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18,20).
What are the key properties of ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate is sourced from PubChem (CID 150471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).