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

C17H21N3O2 — CID 46867383

IUPACethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3
InChIInChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyKTSROZJJBCCRGO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds2

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

ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867383) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867383
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3
InChIInChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyKTSROZJJBCCRGO-UHFFFAOYSA-N
XLogP2.97
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate (CID 46867383) is ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3.
What is the InChIKey of ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is KTSROZJJBCCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate?
ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.97, 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-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).