N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine

C19H12BrN5O3 — CID 23493822

IUPACN-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H12BrN5O3/c20-13-7-1-2-8-14(13)24-18-17(25(26)27)19(23-11-22-18)28-15-9-3-5-12-6-4-10-21-16(12)15/h1-11H,(H,22,23,24)
InChIKeyNLKUKLWVGFDIQJ-UHFFFAOYSA-N
MW438.24 g/mol
LogP5.23
Rot. Bonds5

About N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine

N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine (PubChem CID 23493822) has the molecular formula C19H12BrN5O3 and a molecular weight of 438.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
PubChem CID23493822
Molecular FormulaC19H12BrN5O3
Molecular Weight438.24 g/mol
Exact Mass437.01
IUPAC NameN-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H12BrN5O3/c20-13-7-1-2-8-14(13)24-18-17(25(26)27)19(23-11-22-18)28-15-9-3-5-12-6-4-10-21-16(12)15/h1-11H,(H,22,23,24)
InChIKeyNLKUKLWVGFDIQJ-UHFFFAOYSA-N
XLogP5.23
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830
N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23479406
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-benzhydryl-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493844
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
6-(5-bromoquinolin-8-yl)oxy-N-(2,5-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23485772
2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493858
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22537689
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23493985

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine (CID 23493822) is N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
The InChIKey is NLKUKLWVGFDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN5O3/c20-13-7-1-2-8-14(13)24-18-17(25(26)27)19(23-11-22-18)28-15-9-3-5-12-6-4-10-21-16(12)15/h1-11H,(H,22,23,24).
What are the key properties of N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine has a molecular weight of 438.24 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine is sourced from PubChem (CID 23493822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).