4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine

C19H18BrFN2 — CID 72702007

IUPAC4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18BrFN2/c1-19(2,3)23-18-16(12-8-10-13(21)11-9-12)17(20)14-6-4-5-7-15(14)22-18/h4-11H,1-3H3,(H,22,23)
InChIKeyMLXIDTSZSDIZOL-UHFFFAOYSA-N
MW373.27 g/mol
LogP6.01
Rot. Bonds2

About 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine

4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine (PubChem CID 72702007) has the molecular formula C19H18BrFN2 and a molecular weight of 373.27 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine
PubChem CID72702007
Molecular FormulaC19H18BrFN2
Molecular Weight373.27 g/mol
Exact Mass372.06
IUPAC Name4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18BrFN2/c1-19(2,3)23-18-16(12-8-10-13(21)11-9-12)17(20)14-6-4-5-7-15(14)22-18/h4-11H,1-3H3,(H,22,23)
InChIKeyMLXIDTSZSDIZOL-UHFFFAOYSA-N
XLogP6.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromoquipazine
CID 130261
N-(3-bromophenyl)quinazolin-4-amine
CID 735125
6-bromo-N2-phenylquinazoline-2,4-diamine
CID 145998261
4-Methylquinolin-2-amine
CID 231935
7-[[2-(3-Fluorophenyl)ethylamino]methyl]quinolin-2-Amine
CID 72771077
7-{2-[(3-Fluorobenzyl)amino]ethyl}quinolin-2-Amine
CID 72771078
7-[2-[3-(3-Fluorophenyl)propylamino]ethyl]quinolin-2-Amine
CID 72771079
7-({[3-(3-Fluorophenyl)propyl]amino}methyl)quinolin-2-Amine
CID 72771080
7-[2-[2-(3-Fluorophenyl)ethylamino]ethyl]quinolin-2-Amine
CID 72771082
4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
N-(3-bromophenyl)-6-fluoroquinazolin-4-amine
CID 45375910

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine?
The IUPAC name of 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine (CID 72702007) is 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine.
What is the SMILES notation for 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine?
The canonical SMILES for 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine is CC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine?
The InChIKey is MLXIDTSZSDIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2/c1-19(2,3)23-18-16(12-8-10-13(21)11-9-12)17(20)14-6-4-5-7-15(14)22-18/h4-11H,1-3H3,(H,22,23).
What are the key properties of 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine?
4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine has a molecular weight of 373.27 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-3-(4-fluorophenyl)quinolin-2-amine is sourced from PubChem (CID 72702007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).