(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone

C16H10BrFN2O — CID 106647258

IUPAC(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2cccc(Br)c2F)nc2ccccc12
InChIInChI=1S/C16H10BrFN2O/c17-11-6-3-5-10(15(11)18)16(21)14-8-12(19)9-4-1-2-7-13(9)20-14/h1-8H,(H2,19,20)
InChIKeyRUGVAZLKRQPNAK-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.95
Rot. Bonds2

About (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone

(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone (PubChem CID 106647258) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
PubChem CID106647258
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2cccc(Br)c2F)nc2ccccc12
InChIInChI=1S/C16H10BrFN2O/c17-11-6-3-5-10(15(11)18)16(21)14-8-12(19)9-4-1-2-7-13(9)20-14/h1-8H,(H2,19,20)
InChIKeyRUGVAZLKRQPNAK-UHFFFAOYSA-N
XLogP3.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510
(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
CID 106655642
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone (CID 106647258) is (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone is Nc1cc(C(=O)c2cccc(Br)c2F)nc2ccccc12.
What is the InChIKey of (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is RUGVAZLKRQPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-11-6-3-5-10(15(11)18)16(21)14-8-12(19)9-4-1-2-7-13(9)20-14/h1-8H,(H2,19,20).
What are the key properties of (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone?
(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 345.17 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106647258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).