N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine

C16H12BrClN2 — CID 43672427

IUPACN-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
SMILESClc1cc(NCc2ccccc2Br)c2ncccc2c1
InChIInChI=1S/C16H12BrClN2/c17-14-6-2-1-4-12(14)10-20-15-9-13(18)8-11-5-3-7-19-16(11)15/h1-9,20H,10H2
InChIKeyCBXSTBNHVJFJRU-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.26
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine

N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine (PubChem CID 43672427) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
PubChem CID43672427
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC NameN-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
SMILESClc1cc(NCc2ccccc2Br)c2ncccc2c1
InChIInChI=1S/C16H12BrClN2/c17-14-6-2-1-4-12(14)10-20-15-9-13(18)8-11-5-3-7-19-16(11)15/h1-9,20H,10H2
InChIKeyCBXSTBNHVJFJRU-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

6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
CID 43672409
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
6-chloro-N-pentylquinolin-8-amine
CID 43672340
6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
CID 83166916
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
N-[(2-bromophenyl)methyl]-4-chloro-2-iodoaniline
CID 107631624
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine (CID 43672427) is N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine is Clc1cc(NCc2ccccc2Br)c2ncccc2c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine?
The InChIKey is CBXSTBNHVJFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-14-6-2-1-4-12(14)10-20-15-9-13(18)8-11-5-3-7-19-16(11)15/h1-9,20H,10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine?
N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-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-bromophenyl)methyl]-6-chloroquinolin-8-amine is sourced from PubChem (CID 43672427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).