8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine

C16H16N4 — CID 43564940

IUPAC8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1ccccn1)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H16N4/c1-20(11-12-5-2-3-9-18-12)15-8-7-14(17)13-6-4-10-19-16(13)15/h2-10H,11,17H2,1H3
InChIKeyJPUGSQLOFKJCKO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.85
Rot. Bonds3

About 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine

8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine (PubChem CID 43564940) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
PubChem CID43564940
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1ccccn1)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H16N4/c1-20(11-12-5-2-3-9-18-12)15-8-7-14(17)13-6-4-10-19-16(13)15/h2-10H,11,17H2,1H3
InChIKeyJPUGSQLOFKJCKO-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 55013762
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine (CID 43564940) is 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine is CN(Cc1ccccn1)c1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine?
The InChIKey is JPUGSQLOFKJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(11-12-5-2-3-9-18-12)15-8-7-14(17)13-6-4-10-19-16(13)15/h2-10H,11,17H2,1H3.
What are the key properties of 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine?
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 43564940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).