ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate

C15H17N3O3 — CID 22334908

IUPACethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate
SMILESCCOC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C15H17N3O3/c1-2-21-13(19)8-18-9-16-14-11(15(18)20)7-10-5-3-4-6-12(10)17-14/h7,9H,2-6,8H2,1H3
InChIKeyOGMIKSCWOAOHJE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate

ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate (PubChem CID 22334908) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate
PubChem CID22334908
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate
SMILESCCOC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C15H17N3O3/c1-2-21-13(19)8-18-9-16-14-11(15(18)20)7-10-5-3-4-6-12(10)17-14/h7,9H,2-6,8H2,1H3
InChIKeyOGMIKSCWOAOHJE-UHFFFAOYSA-N
XLogP1.23
TPSA74.08 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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate (CID 22334908) is ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate is CCOC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3.
What is the InChIKey of ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate?
The InChIKey is OGMIKSCWOAOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-13(19)8-18-9-16-14-11(15(18)20)7-10-5-3-4-6-12(10)17-14/h7,9H,2-6,8H2,1H3.
What are the key properties of ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate?
ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate has a molecular weight of 287.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetate is sourced from PubChem (CID 22334908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).