1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

C13H9F3N2O — CID 151888747

IUPAC1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCc1ccc2c(=O)[nH]c3ccc(C(F)(F)F)cc3n12
InChIInChI=1S/C13H9F3N2O/c1-7-2-5-10-12(19)17-9-4-3-8(13(14,15)16)6-11(9)18(7)10/h2-6H,1H3,(H,17,19)
InChIKeySQGZVFSMNLXJMS-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.11
Rot. Bonds

About 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 151888747) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID151888747
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCc1ccc2c(=O)[nH]c3ccc(C(F)(F)F)cc3n12
InChIInChI=1S/C13H9F3N2O/c1-7-2-5-10-12(19)17-9-4-3-8(13(14,15)16)6-11(9)18(7)10/h2-6H,1H3,(H,17,19)
InChIKeySQGZVFSMNLXJMS-UHFFFAOYSA-N
XLogP3.11
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208309
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
ethyl (E)-3-[4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoate
CID 59198853
3-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44578830
(E)-3-[2-methyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoic acid
CID 68703220
1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde
CID 15224977
3-[3-methyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoic acid
CID 68705063
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 15224980
[3-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]-1-hydroxypropyl]oxidanium
CID 143692588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 151888747) is 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is Cc1ccc2c(=O)[nH]c3ccc(C(F)(F)F)cc3n12.
What is the InChIKey of 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is SQGZVFSMNLXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-7-2-5-10-12(19)17-9-4-3-8(13(14,15)16)6-11(9)18(7)10/h2-6H,1H3,(H,17,19).
What are the key properties of 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 266.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 151888747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).