ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate

C17H19N3O4 — CID 10782569

IUPACethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2nc3ccc(OC)cc3c(C(N)=O)c2C1
InChIInChI=1S/C17H19N3O4/c1-3-24-17(22)20-7-6-14-12(9-20)15(16(18)21)11-8-10(23-2)4-5-13(11)19-14/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,21)
InChIKeyTUIVUZNYHLTVOQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.86
Rot. Bonds3

About ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate

ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate (PubChem CID 10782569) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
PubChem CID10782569
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2nc3ccc(OC)cc3c(C(N)=O)c2C1
InChIInChI=1S/C17H19N3O4/c1-3-24-17(22)20-7-6-14-12(9-20)15(16(18)21)11-8-10(23-2)4-5-13(11)19-14/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,21)
InChIKeyTUIVUZNYHLTVOQ-UHFFFAOYSA-N
XLogP1.86
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate (CID 10782569) is ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate is CCOC(=O)N1CCc2nc3ccc(OC)cc3c(C(N)=O)c2C1.
What is the InChIKey of ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate?
The InChIKey is TUIVUZNYHLTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-24-17(22)20-7-6-14-12(9-20)15(16(18)21)11-8-10(23-2)4-5-13(11)19-14/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,21).
What are the key properties of ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate?
ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate is sourced from PubChem (CID 10782569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).