2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

C17H12FN3O2 — CID 85469242

IUPAC2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C17H12FN3O2/c1-20(2)10-4-5-13-11(8-10)17(23)21-14-6-3-9(18)7-12(14)15(22)16(21)19-13/h3-8H,1-2H3
InChIKeySMUSCUKOMRFXOQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.14
Rot. Bonds1

About 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 85469242) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
PubChem CID85469242
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C17H12FN3O2/c1-20(2)10-4-5-13-11(8-10)17(23)21-14-6-3-9(18)7-12(14)15(22)16(21)19-13/h3-8H,1-2H3
InChIKeySMUSCUKOMRFXOQ-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Afloqualone
CID 2040
Tryptanthrin
CID 73549
Arborine
CID 63123
8-Nitroindolo[2,1-b]quinazoline-6,12-dione
CID 478573
Qingdainone
CID 3035728
8-Fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478574
5-fluoro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 7678107
Pyrimidoindolone, 22b
CID 11501937
8-Methylindolo[2,1-b]quinazoline-6,12-dione
CID 478577
isoindolo[2,1-a]quinazolin-5(11H)-one
CID 928734
2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
CID 63711
6-Aminomethaqualone
CID 63358

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (CID 85469242) is 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is CN(C)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O.
What is the InChIKey of 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is SMUSCUKOMRFXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-20(2)10-4-5-13-11(8-10)17(23)21-14-6-3-9(18)7-12(14)15(22)16(21)19-13/h3-8H,1-2H3.
What are the key properties of 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 309.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 85469242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).