3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine

C15H12Cl2N4 — CID 102759247

IUPAC3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
SMILESNc1nc(NCc2cccc3cccnc23)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4/c16-11-7-12(17)15(21-14(11)18)20-8-10-4-1-3-9-5-2-6-19-13(9)10/h1-7H,8H2,(H3,18,20,21)
InChIKeyBKKFXIRTKCJQHG-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.13
Rot. Bonds3

About 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine (PubChem CID 102759247) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
PubChem CID102759247
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
SMILESNc1nc(NCc2cccc3cccnc23)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4/c16-11-7-12(17)15(21-14(11)18)20-8-10-4-1-3-9-5-2-6-19-13(9)10/h1-7H,8H2,(H3,18,20,21)
InChIKeyBKKFXIRTKCJQHG-UHFFFAOYSA-N
XLogP4.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine (CID 102759247) is 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine is Nc1nc(NCc2cccc3cccnc23)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine?
The InChIKey is BKKFXIRTKCJQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c16-11-7-12(17)15(21-14(11)18)20-8-10-4-1-3-9-5-2-6-19-13(9)10/h1-7H,8H2,(H3,18,20,21).
What are the key properties of 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine has a molecular weight of 319.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102759247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).