5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline

C22H23FN4O — CID 162515660

IUPAC5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline
SMILESCCn1cc2c3ccc(OC)cc3nc-2c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C22H23FN4O/c1-3-26-13-17-15-5-4-14(28-2)10-19(15)25-22(17)16-11-18(23)21(12-20(16)26)27-8-6-24-7-9-27/h4-5,10-13,24H,3,6-9H2,1-2H3
InChIKeyHHVOCSUYMNACJU-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.87
Rot. Bonds3

About 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline

5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline (PubChem CID 162515660) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline.

Molecular Properties

Compound Name5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline
PubChem CID162515660
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline
SMILESCCn1cc2c3ccc(OC)cc3nc-2c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C22H23FN4O/c1-3-26-13-17-15-5-4-14(28-2)10-19(15)25-22(17)16-11-18(23)21(12-20(16)26)27-8-6-24-7-9-27/h4-5,10-13,24H,3,6-9H2,1-2H3
InChIKeyHHVOCSUYMNACJU-UHFFFAOYSA-N
XLogP3.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline?
The IUPAC name of 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline (CID 162515660) is 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline.
What is the SMILES notation for 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline?
The canonical SMILES for 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline is CCn1cc2c3ccc(OC)cc3nc-2c2cc(F)c(N3CCNCC3)cc21.
What is the InChIKey of 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline?
The InChIKey is HHVOCSUYMNACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-26-13-17-15-5-4-14(28-2)10-19(15)25-22(17)16-11-18(23)21(12-20(16)26)27-8-6-24-7-9-27/h4-5,10-13,24H,3,6-9H2,1-2H3.
What are the key properties of 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline?
5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline has a molecular weight of 378.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-9-methoxy-3-piperazin-1-ylindolo[3,2-c]quinoline is sourced from PubChem (CID 162515660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).