ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate

C16H19N3O3 — CID 10017740

IUPACethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1N1CCOCC1
InChIInChI=1S/C16H19N3O3/c1-3-22-16(20)13-10-17-15-12(5-4-11(2)18-15)14(13)19-6-8-21-9-7-19/h4-5,10H,3,6-9H2,1-2H3
InChIKeyDICKJUXXMUBNIM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.95
Rot. Bonds3

About ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 10017740) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate
PubChem CID10017740
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1N1CCOCC1
InChIInChI=1S/C16H19N3O3/c1-3-22-16(20)13-10-17-15-12(5-4-11(2)18-15)14(13)19-6-8-21-9-7-19/h4-5,10H,3,6-9H2,1-2H3
InChIKeyDICKJUXXMUBNIM-UHFFFAOYSA-N
XLogP1.95
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate (CID 10017740) is ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1N1CCOCC1.
What is the InChIKey of ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is DICKJUXXMUBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-16(20)13-10-17-15-12(5-4-11(2)18-15)14(13)19-6-8-21-9-7-19/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10017740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).