ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate

C19H16Cl2N2O3 — CID 139214835

IUPACethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2c(OCC)nc(-c3ccccc3)cc2c1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-3-25-18-14-12(10-13(22-18)11-8-6-5-7-9-11)15(20)16(23-17(14)21)19(24)26-4-2/h5-10H,3-4H2,1-2H3
InChIKeyIZROKAQMLQYFMZ-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.18
Rot. Bonds5

About ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate

ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate (PubChem CID 139214835) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate
PubChem CID139214835
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Nameethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2c(OCC)nc(-c3ccccc3)cc2c1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-3-25-18-14-12(10-13(22-18)11-8-6-5-7-9-11)15(20)16(23-17(14)21)19(24)26-4-2/h5-10H,3-4H2,1-2H3
InChIKeyIZROKAQMLQYFMZ-UHFFFAOYSA-N
XLogP5.18
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
8-ethoxy-4-hydroxy-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxylic acid
CID 54732443
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 15587573
ethyl 2,6-dichloro-5-phenoxypyrimidine-4-carboxylate
CID 19934748
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10614988
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate (CID 139214835) is ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1nc(Cl)c2c(OCC)nc(-c3ccccc3)cc2c1Cl.
What is the InChIKey of ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate?
The InChIKey is IZROKAQMLQYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-3-25-18-14-12(10-13(22-18)11-8-6-5-7-9-11)15(20)16(23-17(14)21)19(24)26-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate?
ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate has a molecular weight of 391.25 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dichloro-8-ethoxy-6-phenyl-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 139214835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).