N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine

C17H17N3 — CID 105172541

IUPACN-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cncc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C17H17N3/c1-12-9-14(11-19-10-12)16(18-2)15-7-3-5-13-6-4-8-20-17(13)15/h3-11,16,18H,1-2H3
InChIKeyCUNNPECVTBZVEH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.25
Rot. Bonds3

About N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine

N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine (PubChem CID 105172541) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
PubChem CID105172541
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cncc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C17H17N3/c1-12-9-14(11-19-10-12)16(18-2)15-7-3-5-13-6-4-8-20-17(13)15/h3-11,16,18H,1-2H3
InChIKeyCUNNPECVTBZVEH-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine (CID 105172541) is N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine is CNC(c1cncc(C)c1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine?
The InChIKey is CUNNPECVTBZVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-9-14(11-19-10-12)16(18-2)15-7-3-5-13-6-4-8-20-17(13)15/h3-11,16,18H,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).