ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate

C15H17N3O2 — CID 46867382

IUPACethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCC3
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyKEQYWVWFPKVEHO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds2

About ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate

ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate (PubChem CID 46867382) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate
PubChem CID46867382
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCC3
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyKEQYWVWFPKVEHO-UHFFFAOYSA-N
XLogP2.19
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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 ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate (CID 46867382) is ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCC3.
What is the InChIKey of ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is KEQYWVWFPKVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate?
ethyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.19, 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-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 46867382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).