3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine

C16H11BrClFN2 — CID 116783440

IUPAC3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
SMILESFc1cccc(Cl)c1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H11BrClFN2/c17-11-7-10-3-1-6-15(16(10)21-8-11)20-9-12-13(18)4-2-5-14(12)19/h1-8,20H,9H2
InChIKeyWBLVLGGOZZVFCH-UHFFFAOYSA-N
MW365.63 g/mol
LogP5.40
Rot. Bonds3

About 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine

3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine (PubChem CID 116783440) has the molecular formula C16H11BrClFN2 and a molecular weight of 365.63 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
PubChem CID116783440
Molecular FormulaC16H11BrClFN2
Molecular Weight365.63 g/mol
Exact Mass363.98
IUPAC Name3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
SMILESFc1cccc(Cl)c1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H11BrClFN2/c17-11-7-10-3-1-6-15(16(10)21-8-11)20-9-12-13(18)4-2-5-14(12)19/h1-8,20H,9H2
InChIKeyWBLVLGGOZZVFCH-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

3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
CID 90070689
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
5-bromo-2-[(2-chloro-6-fluorophenyl)methylamino]benzonitrile
CID 82708487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine (CID 116783440) is 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine is Fc1cccc(Cl)c1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine?
The InChIKey is WBLVLGGOZZVFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN2/c17-11-7-10-3-1-6-15(16(10)21-8-11)20-9-12-13(18)4-2-5-14(12)19/h1-8,20H,9H2.
What are the key properties of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine?
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-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 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).