ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate

C14H17N3O3 — CID 12818618

IUPACethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
SMILESCCCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H17N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h5-7H,3-4,8,15H2,1-2H3
InChIKeyZEPPCHDFIXDWIA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.57
Rot. Bonds4

About ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate

ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate (PubChem CID 12818618) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
PubChem CID12818618
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
SMILESCCCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H17N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h5-7H,3-4,8,15H2,1-2H3
InChIKeyZEPPCHDFIXDWIA-UHFFFAOYSA-N
XLogP1.57
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate (CID 12818618) is ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate is CCCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21.
What is the InChIKey of ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZEPPCHDFIXDWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h5-7H,3-4,8,15H2,1-2H3.
What are the key properties of ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).