5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline

C23H25FN4O — CID 175192465

IUPAC5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline
SMILESCCn1cc2c3cccc(OC)c3nc-2c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C23H25FN4O/c1-4-27-14-17-15-6-5-7-21(29-3)23(15)25-22(17)16-12-18(24)20(13-19(16)27)28-10-8-26(2)9-11-28/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyCXHAPSWIFFCQSH-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.21
Rot. Bonds3

About 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline

5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline (PubChem CID 175192465) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline.

Molecular Properties

Compound Name5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline
PubChem CID175192465
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline
SMILESCCn1cc2c3cccc(OC)c3nc-2c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C23H25FN4O/c1-4-27-14-17-15-6-5-7-21(29-3)23(15)25-22(17)16-12-18(24)20(13-19(16)27)28-10-8-26(2)9-11-28/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyCXHAPSWIFFCQSH-UHFFFAOYSA-N
XLogP4.21
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline?
The IUPAC name of 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline (CID 175192465) is 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline.
What is the SMILES notation for 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline?
The canonical SMILES for 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline is CCn1cc2c3cccc(OC)c3nc-2c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline?
The InChIKey is CXHAPSWIFFCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-4-27-14-17-15-6-5-7-21(29-3)23(15)25-22(17)16-12-18(24)20(13-19(16)27)28-10-8-26(2)9-11-28/h5-7,12-14H,4,8-11H2,1-3H3.
What are the key properties of 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline?
5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline has a molecular weight of 392.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-10-methoxy-3-(4-methylpiperazin-1-yl)indolo[3,2-c]quinoline is sourced from PubChem (CID 175192465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).