ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

C19H20ClFN2O2 — CID 151084489

IUPACethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2CC
InChIInChI=1S/C19H20ClFN2O2/c1-3-12-10-23(14-5-6-16(20)17(21)7-14)11-13-9-22-18(8-15(12)13)19(24)25-4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyMKUZLZJTMJJMGE-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.56
Rot. Bonds4

About ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (PubChem CID 151084489) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
PubChem CID151084489
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Nameethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2CC
InChIInChI=1S/C19H20ClFN2O2/c1-3-12-10-23(14-5-6-16(20)17(21)7-14)11-13-9-22-18(8-15(12)13)19(24)25-4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyMKUZLZJTMJJMGE-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 150019757
ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 150455155
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619982
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619939
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (CID 151084489) is ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2CC.
What is the InChIKey of ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The InChIKey is MKUZLZJTMJJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-3-12-10-23(14-5-6-16(20)17(21)7-14)11-13-9-22-18(8-15(12)13)19(24)25-4-2/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate has a molecular weight of 362.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 151084489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).