5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine

C15H13N5O2 — CID 74077314

IUPAC5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine
SMILESCON=Cc1c(N)ncnc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H13N5O2/c1-21-20-8-12-14(16)18-9-19-15(12)22-11-5-4-10-3-2-6-17-13(10)7-11/h2-9H,1H3,(H2,16,18,19)
InChIKeyKCSWXTGPXSZRPS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.38
Rot. Bonds4

About 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine

5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine (PubChem CID 74077314) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine
PubChem CID74077314
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine
SMILESCON=Cc1c(N)ncnc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H13N5O2/c1-21-20-8-12-14(16)18-9-19-15(12)22-11-5-4-10-3-2-6-17-13(10)7-11/h2-9H,1H3,(H2,16,18,19)
InChIKeyKCSWXTGPXSZRPS-UHFFFAOYSA-N
XLogP2.38
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine?
The IUPAC name of 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine (CID 74077314) is 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine?
The canonical SMILES for 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine is CON=Cc1c(N)ncnc1Oc1ccc2cccnc2c1.
What is the InChIKey of 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine?
The InChIKey is KCSWXTGPXSZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-21-20-8-12-14(16)18-9-19-15(12)22-11-5-4-10-3-2-6-17-13(10)7-11/h2-9H,1H3,(H2,16,18,19).
What are the key properties of 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine?
5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine has a molecular weight of 295.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine is sourced from PubChem (CID 74077314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).