8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione

C20H16FN3O3 — CID 122606362

IUPAC8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCOCC3)cc1c2=O
InChIInChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
InChIKeyQAUBWRHYUIABRL-UHFFFAOYSA-N
MW365.36 g/mol
LogP1.90
Rot. Bonds2

About 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione

8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 122606362) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
PubChem CID122606362
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCOCC3)cc1c2=O
InChIInChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
InChIKeyQAUBWRHYUIABRL-UHFFFAOYSA-N
XLogP1.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione (CID 122606362) is 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCOCC3)cc1c2=O.
What is the InChIKey of 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is QAUBWRHYUIABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2.
What are the key properties of 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 365.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 122606362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).