prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C15H16N2O3 — CID 3981051

IUPACprop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C15H16N2O3/c1-4-8-20-15(19)12-9-17(5-2)14-11(13(12)18)7-6-10(3)16-14/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeySCKUYOVZPQTIGJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.07
Rot. Bonds4

About prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 3981051) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID3981051
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameprop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C15H16N2O3/c1-4-8-20-15(19)12-9-17(5-2)14-11(13(12)18)7-6-10(3)16-14/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeySCKUYOVZPQTIGJ-UHFFFAOYSA-N
XLogP2.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 3981051) is prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is C=CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SCKUYOVZPQTIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-8-20-15(19)12-9-17(5-2)14-11(13(12)18)7-6-10(3)16-14/h4,6-7,9H,1,5,8H2,2-3H3.
What are the key properties of prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 3981051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).