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

C31H24N4O2 — CID 69398254

IUPACethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine
SMILESCCOC(=O)c1cc2cccnc2nc1-c1ccccc1.c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C17H14N2O2.C14H10N2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12;1-2-5-11(6-3-1)13-9-8-12-7-4-10-15-14(12)16-13/h3-11H,2H2,1H3;1-10H
InChIKeyWMUPUFMCZIFTGP-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.77
Rot. Bonds4

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

ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine (PubChem CID 69398254) has the molecular formula C31H24N4O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine.

Molecular Properties

Compound Nameethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine
PubChem CID69398254
Molecular FormulaC31H24N4O2
Molecular Weight484.56 g/mol
Exact Mass484.19
IUPAC Nameethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine
SMILESCCOC(=O)c1cc2cccnc2nc1-c1ccccc1.c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C17H14N2O2.C14H10N2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12;1-2-5-11(6-3-1)13-9-8-12-7-4-10-15-14(12)16-13/h3-11H,2H2,1H3;1-10H
InChIKeyWMUPUFMCZIFTGP-UHFFFAOYSA-N
XLogP6.77
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine?
The IUPAC name of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine (CID 69398254) is ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine.
What is the SMILES notation for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine?
The canonical SMILES for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine is CCOC(=O)c1cc2cccnc2nc1-c1ccccc1.c1ccc(-c2ccc3cccnc3n2)cc1.
What is the InChIKey of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine?
The InChIKey is WMUPUFMCZIFTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C14H10N2/c1-2-21-17(20)14-11-13-9-6-10-18-16(13)19-15(14)12-7-4-3-5-8-12;1-2-5-11(6-3-1)13-9-8-12-7-4-10-15-14(12)16-13/h3-11H,2H2,1H3;1-10H.
What are the key properties of ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine?
ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine has a molecular weight of 484.56 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate;2-phenyl-1,8-naphthyridine is sourced from PubChem (CID 69398254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).