6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C11H8FIN2O — CID 156572829

IUPAC6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(I)c(F)cc2nc2n1CCC2
InChIInChI=1S/C11H8FIN2O/c12-7-5-9-6(4-8(7)13)11(16)15-3-1-2-10(15)14-9/h4-5H,1-3H2
InChIKeyLFRXRNXAROLXKG-UHFFFAOYSA-N
MW330.10 g/mol
LogP2.09
Rot. Bonds

About 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 156572829) has the molecular formula C11H8FIN2O and a molecular weight of 330.10 g/mol. Its IUPAC name is 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID156572829
Molecular FormulaC11H8FIN2O
Molecular Weight330.10 g/mol
Exact Mass329.97
IUPAC Name6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(I)c(F)cc2nc2n1CCC2
InChIInChI=1S/C11H8FIN2O/c12-7-5-9-6(4-8(7)13)11(16)15-3-1-2-10(15)14-9/h4-5H,1-3H2
InChIKeyLFRXRNXAROLXKG-UHFFFAOYSA-N
XLogP2.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
CID 129451720
(3,4-difluorophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 24980602
N-(2,5-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 19590900
N-(2-fluoro-4-methylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9455113
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 58574138
N'-(4-fluorobenzoyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide
CID 58574387
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525957
N-(3,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4588363
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 156572829) is 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is O=c1c2cc(I)c(F)cc2nc2n1CCC2.
What is the InChIKey of 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is LFRXRNXAROLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O/c12-7-5-9-6(4-8(7)13)11(16)15-3-1-2-10(15)14-9/h4-5H,1-3H2.
What are the key properties of 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 330.10 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 156572829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).