2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone

C25H19N3OS2 — CID 1435140

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H19N3OS2/c29-23(28-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)28)15-30-25-17-7-1-2-8-18(17)26-24(27-25)16-13-14-16/h1-12,16H,13-15H2
InChIKeyZSAJPLGOPJFSCU-UHFFFAOYSA-N
MW441.58 g/mol
LogP6.43
Rot. Bonds4

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone (PubChem CID 1435140) has the molecular formula C25H19N3OS2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone
PubChem CID1435140
Molecular FormulaC25H19N3OS2
Molecular Weight441.58 g/mol
Exact Mass441.10
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H19N3OS2/c29-23(28-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)28)15-30-25-17-7-1-2-8-18(17)26-24(27-25)16-13-14-16/h1-12,16H,13-15H2
InChIKeyZSAJPLGOPJFSCU-UHFFFAOYSA-N
XLogP6.43
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone (CID 1435140) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone is O=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The InChIKey is ZSAJPLGOPJFSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS2/c29-23(28-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)28)15-30-25-17-7-1-2-8-18(17)26-24(27-25)16-13-14-16/h1-12,16H,13-15H2.
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone has a molecular weight of 441.58 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 1435140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).