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

C20H18N2O — CID 122192617

IUPAC3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
SMILESCCn1ccc2c3c(OC)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C20H18N2O/c1-3-22-12-11-15-18(22)10-9-16-20(15)19(23-2)13-17(21-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyYBNOUGCGLXCQLO-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.89
Rot. Bonds3

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

3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline (PubChem CID 122192617) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
PubChem CID122192617
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
SMILESCCn1ccc2c3c(OC)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C20H18N2O/c1-3-22-12-11-15-18(22)10-9-16-20(15)19(23-2)13-17(21-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyYBNOUGCGLXCQLO-UHFFFAOYSA-N
XLogP4.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline?
The IUPAC name of 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline (CID 122192617) is 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline.
What is the SMILES notation for 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline?
The canonical SMILES for 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline is CCn1ccc2c3c(OC)cc(-c4ccccc4)nc3ccc21.
What is the InChIKey of 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline?
The InChIKey is YBNOUGCGLXCQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-22-12-11-15-18(22)10-9-16-20(15)19(23-2)13-17(21-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3.
What are the key properties of 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline?
3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline has a molecular weight of 302.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline is sourced from PubChem (CID 122192617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).