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

C20H21N3O3 — CID 71680296

IUPACethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(OC(C)C)c3)ccc12
InChIInChI=1S/C20H21N3O3/c1-4-25-20(24)16-11-22-19(21)18-15(16)8-9-17(23-18)13-6-5-7-14(10-13)26-12(2)3/h5-12H,4H2,1-3H3,(H2,21,22)
InChIKeyQPEZNAINACRUNZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.84
Rot. Bonds5

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

ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate (PubChem CID 71680296) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate
PubChem CID71680296
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(OC(C)C)c3)ccc12
InChIInChI=1S/C20H21N3O3/c1-4-25-20(24)16-11-22-19(21)18-15(16)8-9-17(23-18)13-6-5-7-14(10-13)26-12(2)3/h5-12H,4H2,1-3H3,(H2,21,22)
InChIKeyQPEZNAINACRUNZ-UHFFFAOYSA-N
XLogP3.84
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.84
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-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate (CID 71680296) is ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3cccc(OC(C)C)c3)ccc12.
What is the InChIKey of ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate?
The InChIKey is QPEZNAINACRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-25-20(24)16-11-22-19(21)18-15(16)8-9-17(23-18)13-6-5-7-14(10-13)26-12(2)3/h5-12H,4H2,1-3H3,(H2,21,22).
What are the key properties of ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-(3-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.84, 5 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-propan-2-yloxyphenyl)-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).