N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine

C16H16N4 — CID 79078553

IUPACN-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H16N4/c1-3-11-4-2-8-17-16(11)14(5-1)19-13-7-6-12-10-18-20-15(12)9-13/h2,4,6-10,14,19H,1,3,5H2,(H,18,20)
InChIKeyUKOYNJFMBRSCJX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds2

About N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79078553) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79078553
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H16N4/c1-3-11-4-2-8-17-16(11)14(5-1)19-13-7-6-12-10-18-20-15(12)9-13/h2,4,6-10,14,19H,1,3,5H2,(H,18,20)
InChIKeyUKOYNJFMBRSCJX-UHFFFAOYSA-N
XLogP3.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79078553) is N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is UKOYNJFMBRSCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-11-4-2-8-17-16(11)14(5-1)19-13-7-6-12-10-18-20-15(12)9-13/h2,4,6-10,14,19H,1,3,5H2,(H,18,20).
What are the key properties of N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 264.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79078553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).