6-indazol-1-yl-1,2,3,4-tetrahydroquinoline

C16H15N3 — CID 81224217

IUPAC6-indazol-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)cnn2-c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15N3/c1-2-6-16-13(4-1)11-18-19(16)14-7-8-15-12(10-14)5-3-9-17-15/h1-2,4,6-8,10-11,17H,3,5,9H2
InChIKeyMXKCRZLLYNSISA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.38
Rot. Bonds1

About 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline

6-indazol-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 81224217) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-indazol-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID81224217
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-indazol-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)cnn2-c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15N3/c1-2-6-16-13(4-1)11-18-19(16)14-7-8-15-12(10-14)5-3-9-17-15/h1-2,4,6-8,10-11,17H,3,5,9H2
InChIKeyMXKCRZLLYNSISA-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline (CID 81224217) is 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)cnn2-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MXKCRZLLYNSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-6-16-13(4-1)11-18-19(16)14-7-8-15-12(10-14)5-3-9-17-15/h1-2,4,6-8,10-11,17H,3,5,9H2.
What are the key properties of 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline?
6-indazol-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 249.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).