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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Related Compounds

2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-bromo-4-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-3,4-diamine
CID 64548457
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
CID 79378044
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205

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).