ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate

C18H17N3O3 — CID 71680298

IUPACethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C18H17N3O3/c1-3-24-18(22)14-10-20-17(19)16-13(14)7-8-15(21-16)11-5-4-6-12(9-11)23-2/h4-10H,3H2,1-2H3,(H2,19,20)
InChIKeyPYUMDGPCAWKQOZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.06
Rot. Bonds4

About ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate

ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate (PubChem CID 71680298) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
PubChem CID71680298
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C18H17N3O3/c1-3-24-18(22)14-10-20-17(19)16-13(14)7-8-15(21-16)11-5-4-6-12(9-11)23-2/h4-10H,3H2,1-2H3,(H2,19,20)
InChIKeyPYUMDGPCAWKQOZ-UHFFFAOYSA-N
XLogP3.06
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate (CID 71680298) is ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3cccc(OC)c3)ccc12.
What is the InChIKey of ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate?
The InChIKey is PYUMDGPCAWKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(22)14-10-20-17(19)16-13(14)7-8-15(21-16)11-5-4-6-12(9-11)23-2/h4-10H,3H2,1-2H3,(H2,19,20).
What are the key properties of ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).