ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate

C17H14FN3O2 — CID 71680127

IUPACethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-20-16(19)15-12(13)6-7-14(21-15)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H2,19,20)
InChIKeyQIKOZJAXUAVSCS-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.19
Rot. Bonds3

About ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate

ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate (PubChem CID 71680127) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate
PubChem CID71680127
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Nameethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-20-16(19)15-12(13)6-7-14(21-15)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H2,19,20)
InChIKeyQIKOZJAXUAVSCS-UHFFFAOYSA-N
XLogP3.19
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
4-(2-Quinoxalinylamino)benzoic acid ethyl ester
CID 1482857
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid butyl ester
CID 44287002
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid ethyl ester
CID 44287003
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156013079
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156018983
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156019572
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156020082
Ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 3253354

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate (CID 71680127) is ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3cccc(F)c3)ccc12.
What is the InChIKey of ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate?
The InChIKey is QIKOZJAXUAVSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-20-16(19)15-12(13)6-7-14(21-15)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H2,19,20).
What are the key properties of ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).