N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine

C16H11BrClFN2 — CID 43672441

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
SMILESFc1ccc(CNc2cc(Cl)cc3cccnc23)cc1Br
InChIInChI=1S/C16H11BrClFN2/c17-13-6-10(3-4-14(13)19)9-21-15-8-12(18)7-11-2-1-5-20-16(11)15/h1-8,21H,9H2
InChIKeyWUGXFXSMNCJNME-UHFFFAOYSA-N
MW365.63 g/mol
LogP5.40
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine

N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine (PubChem CID 43672441) has the molecular formula C16H11BrClFN2 and a molecular weight of 365.63 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
PubChem CID43672441
Molecular FormulaC16H11BrClFN2
Molecular Weight365.63 g/mol
Exact Mass363.98
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
SMILESFc1ccc(CNc2cc(Cl)cc3cccnc23)cc1Br
InChIInChI=1S/C16H11BrClFN2/c17-13-6-10(3-4-14(13)19)9-21-15-8-12(18)7-11-2-1-5-20-16(11)15/h1-8,21H,9H2
InChIKeyWUGXFXSMNCJNME-UHFFFAOYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
CID 43672409
6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
6-chloro-N-pentylquinolin-8-amine
CID 43672340
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 29079789

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine (CID 43672441) is N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine is Fc1ccc(CNc2cc(Cl)cc3cccnc23)cc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine?
The InChIKey is WUGXFXSMNCJNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN2/c17-13-6-10(3-4-14(13)19)9-21-15-8-12(18)7-11-2-1-5-20-16(11)15/h1-8,21H,9H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine has a molecular weight of 365.63 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine is sourced from PubChem (CID 43672441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).