3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid

C20H16N2O2 — CID 72704087

IUPAC3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid
SMILESCCn1ccc2c3c(C(=O)O)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C20H16N2O2/c1-2-22-11-10-14-18(22)9-8-16-19(14)15(20(23)24)12-17(21-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24)
InChIKeySKCGWWNBQCCJCL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.57
Rot. Bonds3

About 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid

3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid (PubChem CID 72704087) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid
PubChem CID72704087
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid
SMILESCCn1ccc2c3c(C(=O)O)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C20H16N2O2/c1-2-22-11-10-14-18(22)9-8-16-19(14)15(20(23)24)12-17(21-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24)
InChIKeySKCGWWNBQCCJCL-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid?
The IUPAC name of 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid (CID 72704087) is 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid.
What is the SMILES notation for 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid?
The canonical SMILES for 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid is CCn1ccc2c3c(C(=O)O)cc(-c4ccccc4)nc3ccc21.
What is the InChIKey of 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid?
The InChIKey is SKCGWWNBQCCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-22-11-10-14-18(22)9-8-16-19(14)15(20(23)24)12-17(21-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24).
What are the key properties of 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid?
3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-phenylpyrrolo[3,2-f]quinoline-9-carboxylic acid is sourced from PubChem (CID 72704087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).