5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine

C14H11BrN4 — CID 103518059

IUPAC5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc2ncccc2c1
InChIInChI=1S/C14H11BrN4/c15-11-7-17-8-12(16)14(11)19-10-3-4-13-9(6-10)2-1-5-18-13/h1-8H,16H2,(H,17,19)
InChIKeySEWWATAKGFIDGD-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.72
Rot. Bonds2

About 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine

5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine (PubChem CID 103518059) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
PubChem CID103518059
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc2ncccc2c1
InChIInChI=1S/C14H11BrN4/c15-11-7-17-8-12(16)14(11)19-10-3-4-13-9(6-10)2-1-5-18-13/h1-8H,16H2,(H,17,19)
InChIKeySEWWATAKGFIDGD-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
CID 103517968
4-bromo-2-N-quinolin-6-ylbenzene-1,2-diamine
CID 65342296
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
4-methyl-2-N-quinolin-6-ylpyridine-2,5-diamine
CID 79176038
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455
2-bromo-4-(quinolin-6-ylamino)benzenecarbothioamide
CID 107277735
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine
CID 66077251
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine (CID 103518059) is 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine is Nc1cncc(Br)c1Nc1ccc2ncccc2c1.
What is the InChIKey of 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine?
The InChIKey is SEWWATAKGFIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-7-17-8-12(16)14(11)19-10-3-4-13-9(6-10)2-1-5-18-13/h1-8H,16H2,(H,17,19).
What are the key properties of 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine?
5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine has a molecular weight of 315.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine is sourced from PubChem (CID 103518059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).