ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate

C22H19N3O3 — CID 14908337

IUPACethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)nc(Oc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C22H19N3O3/c1-3-27-22(26)18-12-17-15-6-4-5-7-16(15)21(25-20(17)24-19(18)23)28-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H2,23,24,25)
InChIKeyNEQZCMDLRAIETF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.64
Rot. Bonds4

About ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate

ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate (PubChem CID 14908337) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate
PubChem CID14908337
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)nc(Oc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C22H19N3O3/c1-3-27-22(26)18-12-17-15-6-4-5-7-16(15)21(25-20(17)24-19(18)23)28-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H2,23,24,25)
InChIKeyNEQZCMDLRAIETF-UHFFFAOYSA-N
XLogP4.64
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
CID 15189182
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 3-amino-1-bromoisoquinoline-4-carboxylate
CID 14472958
ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
CID 170718105
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate (CID 14908337) is ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate is CCOC(=O)c1cc2c(nc1N)nc(Oc1ccc(C)cc1)c1ccccc12.
What is the InChIKey of ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate?
The InChIKey is NEQZCMDLRAIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-27-22(26)18-12-17-15-6-4-5-7-16(15)21(25-20(17)24-19(18)23)28-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H2,23,24,25).
What are the key properties of ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate?
ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate is sourced from PubChem (CID 14908337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).