3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine

C15H13N5O — CID 70237134

IUPAC3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
SMILESCOc1nccnc1NN=Cc1ccc2ccccc2n1
InChIInChI=1S/C15H13N5O/c1-21-15-14(16-8-9-17-15)20-18-10-12-7-6-11-4-2-3-5-13(11)19-12/h2-10H,1H3,(H,16,20)
InChIKeyDURZKSDUKXTMMN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds4

About 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine

3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine (PubChem CID 70237134) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
PubChem CID70237134
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
SMILESCOc1nccnc1NN=Cc1ccc2ccccc2n1
InChIInChI=1S/C15H13N5O/c1-21-15-14(16-8-9-17-15)20-18-10-12-7-6-11-4-2-3-5-13(11)19-12/h2-10H,1H3,(H,16,20)
InChIKeyDURZKSDUKXTMMN-UHFFFAOYSA-N
XLogP2.48
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine (CID 70237134) is 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine is COc1nccnc1NN=Cc1ccc2ccccc2n1.
What is the InChIKey of 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine?
The InChIKey is DURZKSDUKXTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-21-15-14(16-8-9-17-15)20-18-10-12-7-6-11-4-2-3-5-13(11)19-12/h2-10H,1H3,(H,16,20).
What are the key properties of 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine?
3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine has a molecular weight of 279.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine is sourced from PubChem (CID 70237134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).