N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine

C20H14BrN3 — CID 11509077

IUPACN-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine
SMILESBrc1cccc(Nc2cncc(-c3cccc4cccnc34)c2)c1
InChIInChI=1S/C20H14BrN3/c21-16-6-2-7-17(11-16)24-18-10-15(12-22-13-18)19-8-1-4-14-5-3-9-23-20(14)19/h1-13,24H
InChIKeyVXXBXWMRYCWNBG-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.80
Rot. Bonds3

About N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine

N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine (PubChem CID 11509077) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine
PubChem CID11509077
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC NameN-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine
SMILESBrc1cccc(Nc2cncc(-c3cccc4cccnc34)c2)c1
InChIInChI=1S/C20H14BrN3/c21-16-6-2-7-17(11-16)24-18-10-15(12-22-13-18)19-8-1-4-14-5-3-9-23-20(14)19/h1-13,24H
InChIKeyVXXBXWMRYCWNBG-UHFFFAOYSA-N
XLogP5.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine?
The IUPAC name of N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine (CID 11509077) is N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine?
The canonical SMILES for N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine is Brc1cccc(Nc2cncc(-c3cccc4cccnc34)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine?
The InChIKey is VXXBXWMRYCWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-16-6-2-7-17(11-16)24-18-10-15(12-22-13-18)19-8-1-4-14-5-3-9-23-20(14)19/h1-13,24H.
What are the key properties of N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine?
N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine has a molecular weight of 376.26 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine is sourced from PubChem (CID 11509077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).