4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline

C23H18ClN5 — CID 11003892

IUPAC4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3c(-c4ccc(Cl)cc4)cc4cccnc4n23)cc1
InChIInChI=1S/C23H18ClN5/c1-28(2)19-11-7-16(8-12-19)22-26-27-23-20(15-5-9-18(24)10-6-15)14-17-4-3-13-25-21(17)29(22)23/h3-14H,1-2H3
InChIKeyKZXQQVKYIOSJNF-UHFFFAOYSA-N
MW399.89 g/mol
LogP5.33
Rot. Bonds3

About 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline

4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline (PubChem CID 11003892) has the molecular formula C23H18ClN5 and a molecular weight of 399.89 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline
PubChem CID11003892
Molecular FormulaC23H18ClN5
Molecular Weight399.89 g/mol
Exact Mass399.13
IUPAC Name4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3c(-c4ccc(Cl)cc4)cc4cccnc4n23)cc1
InChIInChI=1S/C23H18ClN5/c1-28(2)19-11-7-16(8-12-19)22-26-27-23-20(15-5-9-18(24)10-6-15)14-17-4-3-13-25-21(17)29(22)23/h3-14H,1-2H3
InChIKeyKZXQQVKYIOSJNF-UHFFFAOYSA-N
XLogP5.33
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.89
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 10981942
9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 46192932
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
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 14390370
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
CID 817895
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
3-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631944
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol
CID 70128818

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline (CID 11003892) is 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc3c(-c4ccc(Cl)cc4)cc4cccnc4n23)cc1.
What is the InChIKey of 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline?
The InChIKey is KZXQQVKYIOSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5/c1-28(2)19-11-7-16(8-12-19)22-26-27-23-20(15-5-9-18(24)10-6-15)14-17-4-3-13-25-21(17)29(22)23/h3-14H,1-2H3.
What are the key properties of 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline?
4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline has a molecular weight of 399.89 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline is sourced from PubChem (CID 11003892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).