ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate

C14H14N2O4 — CID 54600285

IUPACethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1c(OC)nc2ccccn2c1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-12(17)8-7-10-13(19-2)15-11-6-4-5-9-16(11)14(10)18/h4-9H,3H2,1-2H3/b8-7-
InChIKeySXNIWOIENROHHY-FPLPWBNLSA-N
MW274.28 g/mol
LogP1.28
Rot. Bonds4

About ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate

ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate (PubChem CID 54600285) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
PubChem CID54600285
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1c(OC)nc2ccccn2c1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-12(17)8-7-10-13(19-2)15-11-6-4-5-9-16(11)14(10)18/h4-9H,3H2,1-2H3/b8-7-
InChIKeySXNIWOIENROHHY-FPLPWBNLSA-N
XLogP1.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 91168931
methyl (E)-3-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
CID 84818363
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
CID 169480678
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (E)-3-(4-amino-2-chloro-6-methoxypyrimidin-5-yl)prop-2-enoate
CID 170707726
ethyl (E)-3-[9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 67313791
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734837
ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
CID 165477367
diethyl 2-[[(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]methylidene]propanedioate
CID 15320945
methyl (2R)-2-[benzyl-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propanoate
CID 101250236

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate (CID 54600285) is ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate is CCOC(=O)/C=C\c1c(OC)nc2ccccn2c1=O.
What is the InChIKey of ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate?
The InChIKey is SXNIWOIENROHHY-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-12(17)8-7-10-13(19-2)15-11-6-4-5-9-16(11)14(10)18/h4-9H,3H2,1-2H3/b8-7-.
What are the key properties of ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate?
ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate has a molecular weight of 274.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate is sourced from PubChem (CID 54600285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).