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

C22H15ClN4O — CID 10981942

IUPAC9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESCOc1ccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)cc1
InChIInChI=1S/C22H15ClN4O/c1-28-18-10-6-14(7-11-18)19-13-16-3-2-12-24-20(16)27-21(25-26-22(19)27)15-4-8-17(23)9-5-15/h2-13H,1H3
InChIKeyZNBYUNOVULPKRM-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.27
Rot. Bonds3

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

9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (PubChem CID 10981942) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
PubChem CID10981942
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESCOc1ccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)cc1
InChIInChI=1S/C22H15ClN4O/c1-28-18-10-6-14(7-11-18)19-13-16-3-2-12-24-20(16)27-21(25-26-22(19)27)15-4-8-17(23)9-5-15/h2-13H,1H3
InChIKeyZNBYUNOVULPKRM-UHFFFAOYSA-N
XLogP5.27
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
7-chloro-14-phenyl-1,3,11,12,20-pentazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2,4(9),5,7,10,12,14,16(21),17,19-decaene
CID 10571921
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599954
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
CID 70332319
6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 712689
10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2014545
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The IUPAC name of 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (CID 10981942) is 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.
What is the SMILES notation for 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The canonical SMILES for 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is COc1ccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The InChIKey is ZNBYUNOVULPKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-28-18-10-6-14(7-11-18)19-13-16-3-2-12-24-20(16)27-21(25-26-22(19)27)15-4-8-17(23)9-5-15/h2-13H,1H3.
What are the key properties of 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine has a molecular weight of 386.84 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is sourced from PubChem (CID 10981942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).