(2-indazol-1-ylquinolin-3-yl)methanamine

C17H14N4 — CID 62140579

IUPAC(2-indazol-1-ylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1-n1ncc2ccccc21
InChIInChI=1S/C17H14N4/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)21-16-8-4-2-6-13(16)11-19-21/h1-9,11H,10,18H2
InChIKeyCCJXTNLIDWJUJD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.03
Rot. Bonds2

About (2-indazol-1-ylquinolin-3-yl)methanamine

(2-indazol-1-ylquinolin-3-yl)methanamine (PubChem CID 62140579) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is (2-indazol-1-ylquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-indazol-1-ylquinolin-3-yl)methanamine
PubChem CID62140579
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name(2-indazol-1-ylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1-n1ncc2ccccc21
InChIInChI=1S/C17H14N4/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)21-16-8-4-2-6-13(16)11-19-21/h1-9,11H,10,18H2
InChIKeyCCJXTNLIDWJUJD-UHFFFAOYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-indazol-1-ylquinolin-3-yl)methanamine?
The IUPAC name of (2-indazol-1-ylquinolin-3-yl)methanamine (CID 62140579) is (2-indazol-1-ylquinolin-3-yl)methanamine.
What is the SMILES notation for (2-indazol-1-ylquinolin-3-yl)methanamine?
The canonical SMILES for (2-indazol-1-ylquinolin-3-yl)methanamine is NCc1cc2ccccc2nc1-n1ncc2ccccc21.
What is the InChIKey of (2-indazol-1-ylquinolin-3-yl)methanamine?
The InChIKey is CCJXTNLIDWJUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)21-16-8-4-2-6-13(16)11-19-21/h1-9,11H,10,18H2.
What are the key properties of (2-indazol-1-ylquinolin-3-yl)methanamine?
(2-indazol-1-ylquinolin-3-yl)methanamine has a molecular weight of 274.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-indazol-1-ylquinolin-3-yl)methanamine is sourced from PubChem (CID 62140579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).