ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate

C15H19N3O3 — CID 12818619

IUPACethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(CC(C)C)c1=O
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)11-12(16)10-6-5-7-17-13(10)18(14(11)19)8-9(2)3/h5-7,9H,4,8,16H2,1-3H3
InChIKeyYFHMNANRDWFVPV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.81
Rot. Bonds4

About ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818619) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818619
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(CC(C)C)c1=O
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)11-12(16)10-6-5-7-17-13(10)18(14(11)19)8-9(2)3/h5-7,9H,4,8,16H2,1-3H3
InChIKeyYFHMNANRDWFVPV-UHFFFAOYSA-N
XLogP1.81
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818619) is ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N)c2cccnc2n(CC(C)C)c1=O.
What is the InChIKey of ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is YFHMNANRDWFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-15(20)11-12(16)10-6-5-7-17-13(10)18(14(11)19)8-9(2)3/h5-7,9H,4,8,16H2,1-3H3.
What are the key properties of ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).