5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine

C16H16N4 — CID 43563386

IUPAC5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1cccnc1)c1ccc(N)c2ncccc12
InChIInChI=1S/C16H16N4/c1-20(11-12-4-2-8-18-10-12)15-7-6-14(17)16-13(15)5-3-9-19-16/h2-10H,11,17H2,1H3
InChIKeyNBQYOOGUTCCVMV-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.85
Rot. Bonds3

About 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine

5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine (PubChem CID 43563386) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
PubChem CID43563386
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1cccnc1)c1ccc(N)c2ncccc12
InChIInChI=1S/C16H16N4/c1-20(11-12-4-2-8-18-10-12)15-7-6-14(17)16-13(15)5-3-9-19-16/h2-10H,11,17H2,1H3
InChIKeyNBQYOOGUTCCVMV-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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Launch Full Analysis

Related Compounds

5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 55013762
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
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-4,5-diamine
CID 43563381
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine (CID 43563386) is 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine is CN(Cc1cccnc1)c1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine?
The InChIKey is NBQYOOGUTCCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(11-12-4-2-8-18-10-12)15-7-6-14(17)16-13(15)5-3-9-19-16/h2-10H,11,17H2,1H3.
What are the key properties of 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine?
5-N-methyl-5-N-(pyridin-3-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 5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 43563386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).