7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde

C14H11F2NO2 — CID 169152928

IUPAC7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde
SMILESCC1CCc2c(C=O)c(=O)c3cc(F)c(F)cc3n21
InChIInChI=1S/C14H11F2NO2/c1-7-2-3-12-9(6-18)14(19)8-4-10(15)11(16)5-13(8)17(7)12/h4-7H,2-3H2,1H3
InChIKeyLIJXDSDWECVLBY-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.60
Rot. Bonds1

About 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde

7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde (PubChem CID 169152928) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde
PubChem CID169152928
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde
SMILESCC1CCc2c(C=O)c(=O)c3cc(F)c(F)cc3n21
InChIInChI=1S/C14H11F2NO2/c1-7-2-3-12-9(6-18)14(19)8-4-10(15)11(16)5-13(8)17(7)12/h4-7H,2-3H2,1H3
InChIKeyLIJXDSDWECVLBY-UHFFFAOYSA-N
XLogP2.60
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde with MolForge

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Related Compounds

2-Fluoro-6-(pyrrolidin-1-yl)benzaldehyde
CID 3822448
2-(Pyrrolidin-1-yl)benzaldehyde
CID 2106885
1-Ethyl-7-fluoro-4-oxo-quinoline-3-carboxamide
CID 478765
5-Fluoro-2-(methyl(2-methylbutyl)amino)benzaldehyde
CID 43312993
6-Fluoro-2-methyl-1-(2-oxopropyl)hydroquinolin-4-one
CID 45588892
6-Fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one
CID 71624726
6-fluoro-1-[(E)-4-pyrrolidin-1-ylbut-2-enyl]-2-(trifluoromethyl)quinolin-4-one
CID 71624836
5,7-Difluoro-3-heptyl-1,2-dimethyl-quinolin-4-one
CID 86575018
3-Acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
CID 127048914
1-Methyl-2-(trifluoromethyl)quinolin-4(1H)-one
CID 15135047
7-Fluoro-1-methylquinolin-4(1H)-one
CID 15269531
6-Fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 20028486

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde?
The IUPAC name of 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde (CID 169152928) is 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde is CC1CCc2c(C=O)c(=O)c3cc(F)c(F)cc3n21.
What is the InChIKey of 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde?
The InChIKey is LIJXDSDWECVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-7-2-3-12-9(6-18)14(19)8-4-10(15)11(16)5-13(8)17(7)12/h4-7H,2-3H2,1H3.
What are the key properties of 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde?
7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde has a molecular weight of 263.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 169152928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).