8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one

C11H6F3N3O — CID 175813259

IUPAC8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one
SMILESO=C1Nc2cc3cncnc3cc2C1C(F)(F)F
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)9-6-2-7-5(3-15-4-16-7)1-8(6)17-10(9)18/h1-4,9H,(H,17,18)
InChIKeyWETWHEXIILDDLI-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.23
Rot. Bonds

About 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one

8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one (PubChem CID 175813259) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one
PubChem CID175813259
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one
SMILESO=C1Nc2cc3cncnc3cc2C1C(F)(F)F
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)9-6-2-7-5(3-15-4-16-7)1-8(6)17-10(9)18/h1-4,9H,(H,17,18)
InChIKeyWETWHEXIILDDLI-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
CID 175813238
imidazo[4,5-g]quinazolin-2-one
CID 154216709
CID 59355291
CID 59355291
(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
CID 67777070
7-fluoro-6-iodoquinazoline
CID 141012684
13,20,27-trimethyl-13,27-di(propan-2-yl)-2,7,9,20,31,33-hexaza-13,27-diphosphoniaheptacyclo[26.8.0.03,12.05,10.014,19.021,26.030,35]hexatriaconta-1(28),3(12),4,6,8,10,14,16,18,21,23,25,29,31,33,35-hexadecaene
CID 118136639
7-(3-fluorophenyl)quinazoline
CID 141309357
trimethyl(quinazolin-6-yl)stannane
CID 90333131
6-chloropyrido[3,4-d]pyrimidine
CID 22727455
6-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-7-one
CID 175869847
7-tert-butylquinazoline
CID 58717381
ethene;7-methylquinazoline
CID 145317995

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one?
The IUPAC name of 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one (CID 175813259) is 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one.
What is the SMILES notation for 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one?
The canonical SMILES for 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one is O=C1Nc2cc3cncnc3cc2C1C(F)(F)F.
What is the InChIKey of 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one?
The InChIKey is WETWHEXIILDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-11(13,14)9-6-2-7-5(3-15-4-16-7)1-8(6)17-10(9)18/h1-4,9H,(H,17,18).
What are the key properties of 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one?
8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one has a molecular weight of 253.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one is sourced from PubChem (CID 175813259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).