2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine

C22H18ClFN4 — CID 10178646

IUPAC2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4Cl)nc4c3CCCC4)c2c1
InChIInChI=1S/C22H18ClFN4/c23-17-7-3-1-5-14(17)20-12-21(15-6-2-4-8-18(15)25-20)26-22-16-11-13(24)9-10-19(16)27-28-22/h1,3,5,7,9-12H,2,4,6,8H2,(H2,25,26,27,28)
InChIKeyYNSQRPZYYWFOFL-UHFFFAOYSA-N
MW392.87 g/mol
LogP6.04
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine

2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 10178646) has the molecular formula C22H18ClFN4 and a molecular weight of 392.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID10178646
Molecular FormulaC22H18ClFN4
Molecular Weight392.87 g/mol
Exact Mass392.12
IUPAC Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4Cl)nc4c3CCCC4)c2c1
InChIInChI=1S/C22H18ClFN4/c23-17-7-3-1-5-14(17)20-12-21(15-6-2-4-8-18(15)25-20)26-22-16-11-13(24)9-10-19(16)27-28-22/h1,3,5,7,9-12H,2,4,6,8H2,(H2,25,26,27,28)
InChIKeyYNSQRPZYYWFOFL-UHFFFAOYSA-N
XLogP6.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.87
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine (CID 10178646) is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine is Fc1ccc2[nH]nc(Nc3cc(-c4ccccc4Cl)nc4c3CCCC4)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is YNSQRPZYYWFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4/c23-17-7-3-1-5-14(17)20-12-21(15-6-2-4-8-18(15)25-20)26-22-16-11-13(24)9-10-19(16)27-28-22/h1,3,5,7,9-12H,2,4,6,8H2,(H2,25,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 392.87 g/mol, XLogP of 6.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 10178646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).