3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C19H18AsFN2O — CID 87846772

IUPAC3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC[As](c1ccccc1)C1CCn2c1nc1cc(F)ccc1c2=O
InChIInChI=1S/C19H18AsFN2O/c1-2-20(13-6-4-3-5-7-13)16-10-11-23-18(16)22-17-12-14(21)8-9-15(17)19(23)24/h3-9,12,16H,2,10-11H2,1H3
InChIKeyNHFITYUOGBGCCT-UHFFFAOYSA-N
MW384.29 g/mol
LogP2.98
Rot. Bonds3

About 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 87846772) has the molecular formula C19H18AsFN2O and a molecular weight of 384.29 g/mol. Its IUPAC name is 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID87846772
Molecular FormulaC19H18AsFN2O
Molecular Weight384.29 g/mol
Exact Mass384.06
IUPAC Name3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC[As](c1ccccc1)C1CCn2c1nc1cc(F)ccc1c2=O
InChIInChI=1S/C19H18AsFN2O/c1-2-20(13-6-4-3-5-7-13)16-10-11-23-18(16)22-17-12-14(21)8-9-15(17)19(23)24/h3-9,12,16H,2,10-11H2,1H3
InChIKeyNHFITYUOGBGCCT-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 87846772) is 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CC[As](c1ccccc1)C1CCn2c1nc1cc(F)ccc1c2=O.
What is the InChIKey of 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is NHFITYUOGBGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18AsFN2O/c1-2-20(13-6-4-3-5-7-13)16-10-11-23-18(16)22-17-12-14(21)8-9-15(17)19(23)24/h3-9,12,16H,2,10-11H2,1H3.
What are the key properties of 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 384.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)arsanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 87846772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).