ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate

C18H13ClN4O2 — CID 11046411

IUPACethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n2c(-c3ccc(Cl)cc3)nnc12
InChIInChI=1S/C18H13ClN4O2/c1-2-25-18(24)14-10-12-4-3-9-20-15(12)23-16(21-22-17(14)23)11-5-7-13(19)8-6-11/h3-10H,2H2,1H3
InChIKeyRKRMFWNMORRYHY-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.77
Rot. Bonds3

About ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate

ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate (PubChem CID 11046411) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
PubChem CID11046411
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Nameethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n2c(-c3ccc(Cl)cc3)nnc12
InChIInChI=1S/C18H13ClN4O2/c1-2-25-18(24)14-10-12-4-3-9-20-15(12)23-16(21-22-17(14)23)11-5-7-13(19)8-6-11/h3-10H,2H2,1H3
InChIKeyRKRMFWNMORRYHY-UHFFFAOYSA-N
XLogP3.77
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945
9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 10981942
4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline
CID 11003892
9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 46192932
ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
CID 67010881
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
CID 14390235
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate (CID 11046411) is ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1cc2cccnc2n2c(-c3ccc(Cl)cc3)nnc12.
What is the InChIKey of ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is RKRMFWNMORRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-2-25-18(24)14-10-12-4-3-9-20-15(12)23-16(21-22-17(14)23)11-5-7-13(19)8-6-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 352.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 11046411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).