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

C23H24N2O — CID 122192618

IUPAC9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline
SMILESCCCCOc1cc(-c2ccccc2)nc2ccc3c(ccn3CC)c12
InChIInChI=1S/C23H24N2O/c1-3-5-15-26-22-16-20(17-9-7-6-8-10-17)24-19-11-12-21-18(23(19)22)13-14-25(21)4-2/h6-14,16H,3-5,15H2,1-2H3
InChIKeyGUMQCCJNQHHVQV-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.06
Rot. Bonds6

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

9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline (PubChem CID 122192618) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline
PubChem CID122192618
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline
SMILESCCCCOc1cc(-c2ccccc2)nc2ccc3c(ccn3CC)c12
InChIInChI=1S/C23H24N2O/c1-3-5-15-26-22-16-20(17-9-7-6-8-10-17)24-19-11-12-21-18(23(19)22)13-14-25(21)4-2/h6-14,16H,3-5,15H2,1-2H3
InChIKeyGUMQCCJNQHHVQV-UHFFFAOYSA-N
XLogP6.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 72512
CID 72512
CID 259196
CID 259196
CID 10331436
CID 10331436
CID 10353268
CID 10353268
CID 3035604
CID 3035604
CID 425818
CID 425818
CID 3086380
CID 3086380
CID 23646996
CID 23646996
CID 9856041
CID 9856041
CID 10131066
CID 10131066
CID 11020695
CID 11020695
CID 44372368
CID 44372368

Frequently Asked Questions

What is the IUPAC name of 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline?
The IUPAC name of 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline (CID 122192618) is 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline.
What is the SMILES notation for 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline?
The canonical SMILES for 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline is CCCCOc1cc(-c2ccccc2)nc2ccc3c(ccn3CC)c12.
What is the InChIKey of 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline?
The InChIKey is GUMQCCJNQHHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-5-15-26-22-16-20(17-9-7-6-8-10-17)24-19-11-12-21-18(23(19)22)13-14-25(21)4-2/h6-14,16H,3-5,15H2,1-2H3.
What are the key properties of 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline?
9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline has a molecular weight of 344.46 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxy-3-ethyl-7-phenylpyrrolo[3,2-f]quinoline is sourced from PubChem (CID 122192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).