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

C17H21N3O2 — CID 46867256

IUPACmethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3
InChIInChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyMJNRKJNEVQCSGU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds1

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

methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867256) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867256
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namemethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3
InChIInChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyMJNRKJNEVQCSGU-UHFFFAOYSA-N
XLogP2.97
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 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 methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate (CID 46867256) is methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate is COC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3.
What is the InChIKey of methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is MJNRKJNEVQCSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate?
methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).