8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione

C22H13FN2O3 — CID 505821

IUPAC8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1c(OCc3ccccc3)cccc1c2=O
InChIInChI=1S/C22H13FN2O3/c23-14-9-10-17-16(11-14)20(26)21-24-19-15(22(27)25(17)21)7-4-8-18(19)28-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyBLZUGSSQHNOJFU-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.65
Rot. Bonds3

About 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione

8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 505821) has the molecular formula C22H13FN2O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione
PubChem CID505821
Molecular FormulaC22H13FN2O3
Molecular Weight372.36 g/mol
Exact Mass372.09
IUPAC Name8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1c(OCc3ccccc3)cccc1c2=O
InChIInChI=1S/C22H13FN2O3/c23-14-9-10-17-16(11-14)20(26)21-24-19-15(22(27)25(17)21)7-4-8-18(19)28-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyBLZUGSSQHNOJFU-UHFFFAOYSA-N
XLogP3.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione (CID 505821) is 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(F)ccc2-n2c1nc1c(OCc3ccccc3)cccc1c2=O.
What is the InChIKey of 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is BLZUGSSQHNOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN2O3/c23-14-9-10-17-16(11-14)20(26)21-24-19-15(22(27)25(17)21)7-4-8-18(19)28-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione?
8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 372.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 505821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).