2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile

C16H10BrFN4 — CID 141043182

IUPAC2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C16H10BrFN4/c17-12-7-9(5-6-13(12)18)21-15-10-3-1-2-4-14(10)22-16(20)11(15)8-19/h1-7H,(H3,20,21,22)
InChIKeyVMZYKLFWWBDJJT-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.33
Rot. Bonds2

About 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile

2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile (PubChem CID 141043182) has the molecular formula C16H10BrFN4 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile
PubChem CID141043182
Molecular FormulaC16H10BrFN4
Molecular Weight357.19 g/mol
Exact Mass356.01
IUPAC Name2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C16H10BrFN4/c17-12-7-9(5-6-13(12)18)21-15-10-3-1-2-4-14(10)22-16(20)11(15)8-19/h1-7H,(H3,20,21,22)
InChIKeyVMZYKLFWWBDJJT-UHFFFAOYSA-N
XLogP4.33
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)quinazolin-4-amine
CID 735125
4-N-(3-bromophenyl)quinazoline-4,5-diamine
CID 5328039
N-(3-bromophenyl)-6-fluoroquinazolin-4-amine
CID 45375910
N-(3-bromophenyl)-2-phenylquinazolin-4-amine
CID 2562583
N-(4-bromophenyl)-4-methylquinolin-2-amine
CID 768745
N-(3-bromophenyl)-2-methylquinolin-4-amine
CID 798200
5-Bromoquinolin-2-amine
CID 22674193
7-Bromoquinolin-2-amine
CID 45489778
4-(7-Bromo-4-methyl-quinolin-2-ylamino)-benzamidine
CID 21250257
N-(4-bromophenyl)-2-phenylquinazolin-4-amine
CID 71462088
N-(3-bromophenyl)-2-(trichloromethyl)quinazolin-4-amine
CID 45273434
N-(2-bromophenyl)-2-phenylquinazolin-4-amine
CID 71460396

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile (CID 141043182) is 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile is N#Cc1c(N)nc2ccccc2c1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile?
The InChIKey is VMZYKLFWWBDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4/c17-12-7-9(5-6-13(12)18)21-15-10-3-1-2-4-14(10)22-16(20)11(15)8-19/h1-7H,(H3,20,21,22).
What are the key properties of 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile?
2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile has a molecular weight of 357.19 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-4-fluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 141043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).