4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline

C16H11ClN4 — CID 82167064

IUPAC4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnc3ccc4ccccc4n23)c1
InChIInChI=1S/C16H11ClN4/c17-13-7-6-11(18)9-12(13)16-20-19-15-8-5-10-3-1-2-4-14(10)21(15)16/h1-9H,18H2
InChIKeyCZEPASXUWLFEIH-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.79
Rot. Bonds1

About 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline

4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline (PubChem CID 82167064) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
PubChem CID82167064
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnc3ccc4ccccc4n23)c1
InChIInChI=1S/C16H11ClN4/c17-13-7-6-11(18)9-12(13)16-20-19-15-8-5-10-3-1-2-4-14(10)21(15)16/h1-9H,18H2
InChIKeyCZEPASXUWLFEIH-UHFFFAOYSA-N
XLogP3.79
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 699634
4-chloro-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)aniline
CID 61361168
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 699626
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 61398971
4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166605
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079
4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
CID 60862547
4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378928
4-chloro-3-(1,8-naphthyridin-2-yl)aniline
CID 90117885
1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 6383807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline?
The IUPAC name of 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline (CID 82167064) is 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline.
What is the SMILES notation for 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline?
The canonical SMILES for 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline is Nc1ccc(Cl)c(-c2nnc3ccc4ccccc4n23)c1.
What is the InChIKey of 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline?
The InChIKey is CZEPASXUWLFEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-13-7-6-11(18)9-12(13)16-20-19-15-8-5-10-3-1-2-4-14(10)21(15)16/h1-9H,18H2.
What are the key properties of 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline?
4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline has a molecular weight of 294.75 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline is sourced from PubChem (CID 82167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).