N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine

C16H12BrClN2 — CID 66161429

IUPACN-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
SMILESClc1ccc(Br)c(CNc2cccc3ncccc23)c1
InChIInChI=1S/C16H12BrClN2/c17-14-7-6-12(18)9-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H,10H2
InChIKeyZOJWITYWDCCPHH-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.26
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine

N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine (PubChem CID 66161429) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
PubChem CID66161429
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
SMILESClc1ccc(Br)c(CNc2cccc3ncccc23)c1
InChIInChI=1S/C16H12BrClN2/c17-14-7-6-12(18)9-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H,10H2
InChIKeyZOJWITYWDCCPHH-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
CID 107740450
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-(1H-indol-3-ylmethyl)quinolin-5-amine
CID 60680044

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine (CID 66161429) is N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine is Clc1ccc(Br)c(CNc2cccc3ncccc23)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine?
The InChIKey is ZOJWITYWDCCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-14-7-6-12(18)9-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H,10H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine?
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine has a molecular weight of 347.64 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine is sourced from PubChem (CID 66161429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).