1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone

C23H16N2O2S — CID 164517209

IUPAC1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)c2ccc3c(c2)Sc2ccccc2N3)c2ccccn12
InChIInChI=1S/C23H16N2O2S/c1-14(26)20-13-16(19-7-4-5-11-25(19)20)23(27)15-9-10-18-22(12-15)28-21-8-3-2-6-17(21)24-18/h2-13,24H,1H3
InChIKeyQPASHDWXDWXGRX-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.58
Rot. Bonds3

About 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone

1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone (PubChem CID 164517209) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone
PubChem CID164517209
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)c2ccc3c(c2)Sc2ccccc2N3)c2ccccn12
InChIInChI=1S/C23H16N2O2S/c1-14(26)20-13-16(19-7-4-5-11-25(19)20)23(27)15-9-10-18-22(12-15)28-21-8-3-2-6-17(21)24-18/h2-13,24H,1H3
InChIKeyQPASHDWXDWXGRX-UHFFFAOYSA-N
XLogP5.58
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone (CID 164517209) is 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone is CC(=O)c1cc(C(=O)c2ccc3c(c2)Sc2ccccc2N3)c2ccccn12.
What is the InChIKey of 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone?
The InChIKey is QPASHDWXDWXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c1-14(26)20-13-16(19-7-4-5-11-25(19)20)23(27)15-9-10-18-22(12-15)28-21-8-3-2-6-17(21)24-18/h2-13,24H,1H3.
What are the key properties of 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone?
1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone has a molecular weight of 384.46 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl]ethanone is sourced from PubChem (CID 164517209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).