methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate

C16H19N3O2 — CID 46867255

IUPACmethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3
InChIInChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyBMMDNFSOYOPLJH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.58
Rot. Bonds1

About methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate

methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867255) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867255
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3
InChIInChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyBMMDNFSOYOPLJH-UHFFFAOYSA-N
XLogP2.58
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[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-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate (CID 46867255) is methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate is COC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3.
What is the InChIKey of methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is BMMDNFSOYOPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.58, 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-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).