N-[(4-bromophenyl)methyl]cinnolin-4-amine

C15H12BrN3 — CID 55213389

IUPACN-[(4-bromophenyl)methyl]cinnolin-4-amine
SMILESBrc1ccc(CNc2cnnc3ccccc23)cc1
InChIInChI=1S/C15H12BrN3/c16-12-7-5-11(6-8-12)9-17-15-10-18-19-14-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,17,19)
InChIKeyJKHFJAHYIFFAJA-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

About N-[(4-bromophenyl)methyl]cinnolin-4-amine

N-[(4-bromophenyl)methyl]cinnolin-4-amine (PubChem CID 55213389) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]cinnolin-4-amine
PubChem CID55213389
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC NameN-[(4-bromophenyl)methyl]cinnolin-4-amine
SMILESBrc1ccc(CNc2cnnc3ccccc23)cc1
InChIInChI=1S/C15H12BrN3/c16-12-7-5-11(6-8-12)9-17-15-10-18-19-14-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,17,19)
InChIKeyJKHFJAHYIFFAJA-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
4-[(cinnolin-4-ylamino)methyl]benzoic acid
CID 63587099
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
N-(thiophen-2-ylmethyl)cinnolin-4-amine
CID 63588069
N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
CID 114186432
N-(2,2,2-trifluoroethyl)cinnolin-4-amine
CID 63586208
N-(5,5,5-trifluoropentyl)cinnolin-4-amine
CID 115520682
N-(4-chlorobutyl)cinnolin-4-amine
CID 106845043
N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
CID 114096455
N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
CID 103353871
cinnolin-4-ylhydrazine
CID 39733519
N-[[1-(chloromethyl)cyclopropyl]methyl]cinnolin-4-amine
CID 115455792

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]cinnolin-4-amine (CID 55213389) is N-[(4-bromophenyl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]cinnolin-4-amine is Brc1ccc(CNc2cnnc3ccccc23)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]cinnolin-4-amine?
The InChIKey is JKHFJAHYIFFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-12-7-5-11(6-8-12)9-17-15-10-18-19-14-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,17,19).
What are the key properties of N-[(4-bromophenyl)methyl]cinnolin-4-amine?
N-[(4-bromophenyl)methyl]cinnolin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]cinnolin-4-amine is sourced from PubChem (CID 55213389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).