quinolin-4-ylmethanamine

C10H10N2 — CID 12017326

IUPACquinolin-4-ylmethanamine
SMILESNCc1ccnc2ccccc12
InChIInChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
InChIKeyBVQGQPVMVBOTID-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.69
Rot. Bonds1

About quinolin-4-ylmethanamine

quinolin-4-ylmethanamine (PubChem CID 12017326) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is quinolin-4-ylmethanamine.

Molecular Properties

Compound Namequinolin-4-ylmethanamine
PubChem CID12017326
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Namequinolin-4-ylmethanamine
SMILESNCc1ccnc2ccccc12
InChIInChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
InChIKeyBVQGQPVMVBOTID-UHFFFAOYSA-N
XLogP1.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of quinolin-4-ylmethanamine?
The IUPAC name of quinolin-4-ylmethanamine (CID 12017326) is quinolin-4-ylmethanamine.
What is the SMILES notation for quinolin-4-ylmethanamine?
The canonical SMILES for quinolin-4-ylmethanamine is NCc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-ylmethanamine?
The InChIKey is BVQGQPVMVBOTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2.
What are the key properties of quinolin-4-ylmethanamine?
quinolin-4-ylmethanamine has a molecular weight of 158.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-ylmethanamine is sourced from PubChem (CID 12017326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).