6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine

C20H15N5O3 — CID 23493985

IUPAC6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H15N5O3/c1-13-10-11-14-6-5-9-16(17(14)23-13)28-20-18(25(26)27)19(21-12-22-20)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22,24)
InChIKeyBDURBGAYAUVMGI-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.78
Rot. Bonds5

About 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine

6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine (PubChem CID 23493985) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
PubChem CID23493985
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H15N5O3/c1-13-10-11-14-6-5-9-16(17(14)23-13)28-20-18(25(26)27)19(21-12-22-20)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22,24)
InChIKeyBDURBGAYAUVMGI-UHFFFAOYSA-N
XLogP4.78
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.78
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-[[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23494060
N-(3-bromophenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23494053
1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
CID 23493958
1,1-dimethyl-2-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]hydrazine
CID 23493967
N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23493980
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23479406
N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481270
N-(3,5-dimethylphenyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479337
N-benzyl-N-methyl-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23477965
2-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-8-amine
CID 23490652

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine (CID 23493985) is 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine is Cc1ccc2cccc(Oc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])c2n1.
What is the InChIKey of 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine?
The InChIKey is BDURBGAYAUVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-13-10-11-14-6-5-9-16(17(14)23-13)28-20-18(25(26)27)19(21-12-22-20)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22,24).
What are the key properties of 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine?
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine has a molecular weight of 373.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 23493985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).