8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one

C16H9F3N2O2 — CID 71598245

IUPAC8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one
SMILESO=C1C2=Nc3ccccc3CN2c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)23-10-5-6-13-11(7-10)14(22)15-20-12-4-2-1-3-9(12)8-21(13)15/h1-7H,8H2
InChIKeyMTQYJLGZZAIFDD-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.83
Rot. Bonds1

About 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one

8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one (PubChem CID 71598245) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one
PubChem CID71598245
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one
SMILESO=C1C2=Nc3ccccc3CN2c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)23-10-5-6-13-11(7-10)14(22)15-20-12-4-2-1-3-9(12)8-21(13)15/h1-7H,8H2
InChIKeyMTQYJLGZZAIFDD-UHFFFAOYSA-N
XLogP3.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
8-(Trifluoromethoxy)indolo[2,1-b]quinazoline-6,12-dione
CID 479332
6-Phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 71713478
5-(Trifluoromethoxy)-1-(4-(trifluoromethoxy)benzyl)indoline-2,3-dione
CID 44157243
5-(Trifluoromethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-2,3-dione
CID 44157713
1-[(2-Fluorophenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44157916
1-(2-Methylbenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44158003
1-(3-Methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44158075
5-(Trifluoromethoxy)-1-(4-(trifluoromethyl)benzyl)indoline-2,3-dione
CID 44158221
1-[(2,4-Difluorophenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44158313

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one?
The IUPAC name of 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one (CID 71598245) is 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one.
What is the SMILES notation for 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one?
The canonical SMILES for 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one is O=C1C2=Nc3ccccc3CN2c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one?
The InChIKey is MTQYJLGZZAIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-16(18,19)23-10-5-6-13-11(7-10)14(22)15-20-12-4-2-1-3-9(12)8-21(13)15/h1-7H,8H2.
What are the key properties of 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one?
8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one has a molecular weight of 318.25 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-12H-indolo[2,1-b]quinazolin-6-one is sourced from PubChem (CID 71598245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).