ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate

C18H23N3O2 — CID 46867384

IUPACethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
InChIKeyLQZDBOQHVFTGOE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.36
Rot. Bonds2

About ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate

ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867384) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867384
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
InChIKeyLQZDBOQHVFTGOE-UHFFFAOYSA-N
XLogP3.36
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate (CID 46867384) is ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3.
What is the InChIKey of ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is LQZDBOQHVFTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21).
What are the key properties of ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).