6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine

C16H15BrN4 — CID 60915273

IUPAC6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NCCc1ccncc1
InChIInChI=1S/C16H15BrN4/c17-12-1-2-15-13(9-12)16(14(18)10-21-15)20-8-5-11-3-6-19-7-4-11/h1-4,6-7,9-10H,5,8,18H2,(H,20,21)
InChIKeyNYNRHJUJRBXFMT-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.63
Rot. Bonds4

About 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine

6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine (PubChem CID 60915273) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
PubChem CID60915273
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NCCc1ccncc1
InChIInChI=1S/C16H15BrN4/c17-12-1-2-15-13(9-12)16(14(18)10-21-15)20-8-5-11-3-6-19-7-4-11/h1-4,6-7,9-10H,5,8,18H2,(H,20,21)
InChIKeyNYNRHJUJRBXFMT-UHFFFAOYSA-N
XLogP3.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine (CID 60915273) is 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1NCCc1ccncc1.
What is the InChIKey of 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine?
The InChIKey is NYNRHJUJRBXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-12-1-2-15-13(9-12)16(14(18)10-21-15)20-8-5-11-3-6-19-7-4-11/h1-4,6-7,9-10H,5,8,18H2,(H,20,21).
What are the key properties of 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine?
6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine has a molecular weight of 343.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine is sourced from PubChem (CID 60915273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).