9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline

C12H8ClFN2 — CID 136922629

IUPAC9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline
SMILESCc1cc(Cl)c2c(cc(F)c3nccc32)[nH]1
InChIInChI=1S/C12H8ClFN2/c1-6-4-8(13)11-7-2-3-15-12(7)9(14)5-10(11)16-6/h2-5,16H,1H3
InChIKeyDSSPOFFJSHVBQP-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.82
Rot. Bonds

About 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline

9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline (PubChem CID 136922629) has the molecular formula C12H8ClFN2 and a molecular weight of 234.66 g/mol. Its IUPAC name is 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline
PubChem CID136922629
Molecular FormulaC12H8ClFN2
Molecular Weight234.66 g/mol
Exact Mass234.04
IUPAC Name9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline
SMILESCc1cc(Cl)c2c(cc(F)c3nccc32)[nH]1
InChIInChI=1S/C12H8ClFN2/c1-6-4-8(13)11-7-2-3-15-12(7)9(14)5-10(11)16-6/h2-5,16H,1H3
InChIKeyDSSPOFFJSHVBQP-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline?
The IUPAC name of 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline (CID 136922629) is 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline.
What is the SMILES notation for 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline?
The canonical SMILES for 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline is Cc1cc(Cl)c2c(cc(F)c3nccc32)[nH]1.
What is the InChIKey of 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline?
The InChIKey is DSSPOFFJSHVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2/c1-6-4-8(13)11-7-2-3-15-12(7)9(14)5-10(11)16-6/h2-5,16H,1H3.
What are the key properties of 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline?
9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline has a molecular weight of 234.66 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-fluoro-7-methyl-6H-pyrrolo[3,2-f]quinoline is sourced from PubChem (CID 136922629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).