4-phenoxathiin-4-ylquinazolin-2-amine

C20H13N3OS — CID 69186251

IUPAC4-phenoxathiin-4-ylquinazolin-2-amine
SMILESNc1nc(-c2cccc3c2Oc2ccccc2S3)c2ccccc2n1
InChIInChI=1S/C20H13N3OS/c21-20-22-14-8-2-1-6-12(14)18(23-20)13-7-5-11-17-19(13)24-15-9-3-4-10-16(15)25-17/h1-11H,(H2,21,22,23)
InChIKeyNHCKNRJAIFGAIK-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.14
Rot. Bonds1

About 4-phenoxathiin-4-ylquinazolin-2-amine

4-phenoxathiin-4-ylquinazolin-2-amine (PubChem CID 69186251) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-phenoxathiin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name4-phenoxathiin-4-ylquinazolin-2-amine
PubChem CID69186251
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name4-phenoxathiin-4-ylquinazolin-2-amine
SMILESNc1nc(-c2cccc3c2Oc2ccccc2S3)c2ccccc2n1
InChIInChI=1S/C20H13N3OS/c21-20-22-14-8-2-1-6-12(14)18(23-20)13-7-5-11-17-19(13)24-15-9-3-4-10-16(15)25-17/h1-11H,(H2,21,22,23)
InChIKeyNHCKNRJAIFGAIK-UHFFFAOYSA-N
XLogP5.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxathiin-4-ylquinazolin-2-amine?
The IUPAC name of 4-phenoxathiin-4-ylquinazolin-2-amine (CID 69186251) is 4-phenoxathiin-4-ylquinazolin-2-amine.
What is the SMILES notation for 4-phenoxathiin-4-ylquinazolin-2-amine?
The canonical SMILES for 4-phenoxathiin-4-ylquinazolin-2-amine is Nc1nc(-c2cccc3c2Oc2ccccc2S3)c2ccccc2n1.
What is the InChIKey of 4-phenoxathiin-4-ylquinazolin-2-amine?
The InChIKey is NHCKNRJAIFGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c21-20-22-14-8-2-1-6-12(14)18(23-20)13-7-5-11-17-19(13)24-15-9-3-4-10-16(15)25-17/h1-11H,(H2,21,22,23).
What are the key properties of 4-phenoxathiin-4-ylquinazolin-2-amine?
4-phenoxathiin-4-ylquinazolin-2-amine has a molecular weight of 343.41 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxathiin-4-ylquinazolin-2-amine is sourced from PubChem (CID 69186251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).