6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine

C16H10BrClF2N2 — CID 145244439

IUPAC6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccccc1CNc1c(Cl)cnc2ccc(Br)c(F)c12
InChIInChI=1S/C16H10BrClF2N2/c17-10-5-6-13-14(15(10)20)16(11(18)8-21-13)22-7-9-3-1-2-4-12(9)19/h1-6,8H,7H2,(H,21,22)
InChIKeyNTJWTDROUFMWCP-UHFFFAOYSA-N
MW383.62 g/mol
LogP5.54
Rot. Bonds3

About 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine

6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine (PubChem CID 145244439) has the molecular formula C16H10BrClF2N2 and a molecular weight of 383.62 g/mol. Its IUPAC name is 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
PubChem CID145244439
Molecular FormulaC16H10BrClF2N2
Molecular Weight383.62 g/mol
Exact Mass381.97
IUPAC Name6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccccc1CNc1c(Cl)cnc2ccc(Br)c(F)c12
InChIInChI=1S/C16H10BrClF2N2/c17-10-5-6-13-14(15(10)20)16(11(18)8-21-13)22-7-9-3-1-2-4-12(9)19/h1-6,8H,7H2,(H,21,22)
InChIKeyNTJWTDROUFMWCP-UHFFFAOYSA-N
XLogP5.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
CID 145244523
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 114285819
2-[5-[3-chloro-5-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126531617
2-[[5-[3-chloro-4-[(2-fluorophenyl)methylamino]quinolin-6-yl]pyrimidin-2-yl]amino]propanamide
CID 145244634
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 29034132
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The IUPAC name of 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine (CID 145244439) is 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine.
What is the SMILES notation for 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The canonical SMILES for 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine is Fc1ccccc1CNc1c(Cl)cnc2ccc(Br)c(F)c12.
What is the InChIKey of 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The InChIKey is NTJWTDROUFMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClF2N2/c17-10-5-6-13-14(15(10)20)16(11(18)8-21-13)22-7-9-3-1-2-4-12(9)19/h1-6,8H,7H2,(H,21,22).
What are the key properties of 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine has a molecular weight of 383.62 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 145244439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).