7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one

C17H12FN3O2 — CID 50951879

IUPAC7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one
SMILESO=C1c2cccnc2CN1Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H12FN3O2/c18-12-4-3-10-6-11(16(22)20-14(10)7-12)8-21-9-15-13(17(21)23)2-1-5-19-15/h1-7H,8-9H2,(H,20,22)
InChIKeyVMQJGUSJMNDPFC-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.22
Rot. Bonds2

About 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one

7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one (PubChem CID 50951879) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one
PubChem CID50951879
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one
SMILESO=C1c2cccnc2CN1Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H12FN3O2/c18-12-4-3-10-6-11(16(22)20-14(10)7-12)8-21-9-15-13(17(21)23)2-1-5-19-15/h1-7H,8-9H2,(H,20,22)
InChIKeyVMQJGUSJMNDPFC-UHFFFAOYSA-N
XLogP2.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-[[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527956
(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
CID 143512922
6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555144
6-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146949330
6-[[2,5-difluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528493
6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528144
6-[[2-fluoro-4-[3-(1H-indazol-5-yl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 147835940
3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one
CID 166364576
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067
6-[(2-fluoro-6-iodo-4-isoquinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 163899190

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one (CID 50951879) is 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one is O=C1c2cccnc2CN1Cc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one?
The InChIKey is VMQJGUSJMNDPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-12-4-3-10-6-11(16(22)20-14(10)7-12)8-21-9-15-13(17(21)23)2-1-5-19-15/h1-7H,8-9H2,(H,20,22).
What are the key properties of 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one?
7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one has a molecular weight of 309.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 50951879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).