3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C14H13F3N2O — CID 132603346

IUPAC3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCC1(CC(F)(F)F)CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C14H13F3N2O/c1-13(8-14(15,16)17)6-7-19-11(20)9-4-2-3-5-10(9)18-12(13)19/h2-5H,6-8H2,1H3
InChIKeyXCWHXZMKWQYXJK-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.01
Rot. Bonds1

About 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 132603346) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID132603346
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCC1(CC(F)(F)F)CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C14H13F3N2O/c1-13(8-14(15,16)17)6-7-19-11(20)9-4-2-3-5-10(9)18-12(13)19/h2-5H,6-8H2,1H3
InChIKeyXCWHXZMKWQYXJK-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
CID 84792832
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 15896180
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 604015
2-ethyl-3-ethylimino-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
CID 4620890
4H-pyrazino[2,1-b]quinazoline-3,6-dione;2,2,2-trifluoroacetic acid
CID 172864968
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950467
3,4-dihydro-2H-[1,3]oxazino[2,3-b]quinazolin-6-one
CID 13381483
ethane;ethyl 8,8-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 143150186
1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 22333369
7-methyl-7-(2,2,2-trifluoroethyl)-3-thia-9,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene
CID 168869312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 132603346) is 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is CC1(CC(F)(F)F)CCn2c1nc1ccccc1c2=O.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is XCWHXZMKWQYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-13(8-14(15,16)17)6-7-19-11(20)9-4-2-3-5-10(9)18-12(13)19/h2-5H,6-8H2,1H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 282.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 132603346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).