3-bromo-N-pyridin-2-ylquinolin-2-amine

C14H10BrN3 — CID 102472001

IUPAC3-bromo-N-pyridin-2-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1ccccn1
InChIInChI=1S/C14H10BrN3/c15-11-9-10-5-1-2-6-12(10)17-14(11)18-13-7-3-4-8-16-13/h1-9H,(H,16,17,18)
InChIKeyPOTMCTIIYVCAFF-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About 3-bromo-N-pyridin-2-ylquinolin-2-amine

3-bromo-N-pyridin-2-ylquinolin-2-amine (PubChem CID 102472001) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-bromo-N-pyridin-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-pyridin-2-ylquinolin-2-amine
PubChem CID102472001
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name3-bromo-N-pyridin-2-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1ccccn1
InChIInChI=1S/C14H10BrN3/c15-11-9-10-5-1-2-6-12(10)17-14(11)18-13-7-3-4-8-16-13/h1-9H,(H,16,17,18)
InChIKeyPOTMCTIIYVCAFF-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
Pd 158780
CID 4707
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
6-Bromoquipazine
CID 130261
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-(3-bromophenyl)quinazolin-4-amine
CID 735125

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pyridin-2-ylquinolin-2-amine?
The IUPAC name of 3-bromo-N-pyridin-2-ylquinolin-2-amine (CID 102472001) is 3-bromo-N-pyridin-2-ylquinolin-2-amine.
What is the SMILES notation for 3-bromo-N-pyridin-2-ylquinolin-2-amine?
The canonical SMILES for 3-bromo-N-pyridin-2-ylquinolin-2-amine is Brc1cc2ccccc2nc1Nc1ccccn1.
What is the InChIKey of 3-bromo-N-pyridin-2-ylquinolin-2-amine?
The InChIKey is POTMCTIIYVCAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-11-9-10-5-1-2-6-12(10)17-14(11)18-13-7-3-4-8-16-13/h1-9H,(H,16,17,18).
What are the key properties of 3-bromo-N-pyridin-2-ylquinolin-2-amine?
3-bromo-N-pyridin-2-ylquinolin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyridin-2-ylquinolin-2-amine is sourced from PubChem (CID 102472001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).