3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one

C19H16N2O — CID 23636401

IUPAC3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one
SMILESCCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21
InChIInChI=1S/C19H16N2O/c1-2-21-11-10-14-17(21)9-8-15-19(14)18(22)12-16(20-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22)
InChIKeyFTDXLTYIXHTYMX-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.17
Rot. Bonds2

About 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one

3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one (PubChem CID 23636401) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one.

Molecular Properties

Compound Name3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one
PubChem CID23636401
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one
SMILESCCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21
InChIInChI=1S/C19H16N2O/c1-2-21-11-10-14-17(21)9-8-15-19(14)18(22)12-16(20-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22)
InChIKeyFTDXLTYIXHTYMX-UHFFFAOYSA-N
XLogP4.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one?
The IUPAC name of 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one (CID 23636401) is 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one.
What is the SMILES notation for 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one?
The canonical SMILES for 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one is CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21.
What is the InChIKey of 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one?
The InChIKey is FTDXLTYIXHTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-21-11-10-14-17(21)9-8-15-19(14)18(22)12-16(20-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22).
What are the key properties of 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one?
3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one has a molecular weight of 288.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one is sourced from PubChem (CID 23636401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).