N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine

C17H17N3 — CID 63306756

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
SMILESCc1cccnc1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H17N3/c1-13-4-2-8-20-17(13)12-18-11-14-6-7-16-15(10-14)5-3-9-19-16/h2-10,18H,11-12H2,1H3
InChIKeyUIUCNXZHWRPTRZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine

N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine (PubChem CID 63306756) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
PubChem CID63306756
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
SMILESCc1cccnc1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H17N3/c1-13-4-2-8-20-17(13)12-18-11-14-6-7-16-15(10-14)5-3-9-19-16/h2-10,18H,11-12H2,1H3
InChIKeyUIUCNXZHWRPTRZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine (CID 63306756) is N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine is Cc1cccnc1CNCc1ccc2ncccc2c1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The InChIKey is UIUCNXZHWRPTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-4-2-8-20-17(13)12-18-11-14-6-7-16-15(10-14)5-3-9-19-16/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 63306756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).