9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

C16H14ClF5N2O — CID 15980186

IUPAC9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESCC1c2c(ccc3[nH]c(=O)cc(Cl)c23)N(CC(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C16H14ClF5N2O/c1-7-8(2)24(6-15(18,19)16(20,21)22)11-4-3-10-14(13(7)11)9(17)5-12(25)23-10/h3-5,7-8H,6H2,1-2H3,(H,23,25)
InChIKeyWZEQHSYQEBVNRJ-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.69
Rot. Bonds2

About 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 15980186) has the molecular formula C16H14ClF5N2O and a molecular weight of 380.74 g/mol. Its IUPAC name is 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID15980186
Molecular FormulaC16H14ClF5N2O
Molecular Weight380.74 g/mol
Exact Mass380.07
IUPAC Name9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESCC1c2c(ccc3[nH]c(=O)cc(Cl)c23)N(CC(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C16H14ClF5N2O/c1-7-8(2)24(6-15(18,19)16(20,21)22)11-4-3-10-14(13(7)11)9(17)5-12(25)23-10/h3-5,7-8H,6H2,1-2H3,(H,23,25)
InChIKeyWZEQHSYQEBVNRJ-UHFFFAOYSA-N
XLogP4.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (CID 15980186) is 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is CC1c2c(ccc3[nH]c(=O)cc(Cl)c23)N(CC(F)(F)C(F)(F)F)C1C.
What is the InChIKey of 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is WZEQHSYQEBVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF5N2O/c1-7-8(2)24(6-15(18,19)16(20,21)22)11-4-3-10-14(13(7)11)9(17)5-12(25)23-10/h3-5,7-8H,6H2,1-2H3,(H,23,25).
What are the key properties of 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 380.74 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 15980186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).