N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine

C19H13ClN6O3 — CID 23493980

IUPACN-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(Cl)cn4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C19H13ClN6O3/c1-11-5-6-12-3-2-4-14(16(12)24-11)29-19-17(26(27)28)18(22-10-23-19)25-15-8-7-13(20)9-21-15/h2-10H,1H3,(H,21,22,23,25)
InChIKeyOWNNCZWBXSVOQG-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.83
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine

N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine (PubChem CID 23493980) has the molecular formula C19H13ClN6O3 and a molecular weight of 408.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
PubChem CID23493980
Molecular FormulaC19H13ClN6O3
Molecular Weight408.81 g/mol
Exact Mass408.07
IUPAC NameN-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(Cl)cn4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C19H13ClN6O3/c1-11-5-6-12-3-2-4-14(16(12)24-11)29-19-17(26(27)28)18(22-10-23-19)25-15-8-7-13(20)9-21-15/h2-10H,1H3,(H,21,22,23,25)
InChIKeyOWNNCZWBXSVOQG-UHFFFAOYSA-N
XLogP4.83
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23493985
N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482219
1,1-dimethyl-2-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]hydrazine
CID 23493967
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
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
8-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494057
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481270
N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479921
2-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-8-amine
CID 23490652
2-methyl-8-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]oxyquinoline
CID 23490631

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine (CID 23493980) is N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine is Cc1ccc2cccc(Oc3ncnc(Nc4ccc(Cl)cn4)c3[N+](=O)[O-])c2n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine?
The InChIKey is OWNNCZWBXSVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O3/c1-11-5-6-12-3-2-4-14(16(12)24-11)29-19-17(26(27)28)18(22-10-23-19)25-15-8-7-13(20)9-21-15/h2-10H,1H3,(H,21,22,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine?
N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine has a molecular weight of 408.81 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23493980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).