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

C15H17N3O2 — CID 46867254

IUPACmethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3
InChIInChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyFQFLQQWHOCNXQY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds1

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

methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867254) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867254
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3
InChIInChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyFQFLQQWHOCNXQY-UHFFFAOYSA-N
XLogP2.19
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate (CID 46867254) is methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate is COC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3.
What is the InChIKey of methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is FQFLQQWHOCNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate?
methyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.19, 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-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).