ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate

C17H14N2O2 — CID 11196701

IUPACethyl 2-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyIHHVXJPJVOZGSP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.47
Rot. Bonds3

About ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate

ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate (PubChem CID 11196701) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1,8-naphthyridine-3-carboxylate
PubChem CID11196701
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Nameethyl 2-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyIHHVXJPJVOZGSP-UHFFFAOYSA-N
XLogP3.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate (CID 11196701) is ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cccnc2nc1-c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is IHHVXJPJVOZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate?
ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11196701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).