9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline

C24H20ClFN4S — CID 175220233

IUPAC9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline
SMILESCN1CCN(c2c(F)cc3c(ncc4c5ccc(Cl)cc5[nH]c34)c2-c2cccs2)CC1
InChIInChI=1S/C24H20ClFN4S/c1-29-6-8-30(9-7-29)24-18(26)12-16-22-17(15-5-4-14(25)11-19(15)28-22)13-27-23(16)21(24)20-3-2-10-31-20/h2-5,10-13,28H,6-9H2,1H3
InChIKeyNWCXXHTUNBFBPM-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.14
Rot. Bonds2

About 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline

9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline (PubChem CID 175220233) has the molecular formula C24H20ClFN4S and a molecular weight of 450.97 g/mol. Its IUPAC name is 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline.

Molecular Properties

Compound Name9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline
PubChem CID175220233
Molecular FormulaC24H20ClFN4S
Molecular Weight450.97 g/mol
Exact Mass450.11
IUPAC Name9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline
SMILESCN1CCN(c2c(F)cc3c(ncc4c5ccc(Cl)cc5[nH]c34)c2-c2cccs2)CC1
InChIInChI=1S/C24H20ClFN4S/c1-29-6-8-30(9-7-29)24-18(26)12-16-22-17(15-5-4-14(25)11-19(15)28-22)13-27-23(16)21(24)20-3-2-10-31-20/h2-5,10-13,28H,6-9H2,1H3
InChIKeyNWCXXHTUNBFBPM-UHFFFAOYSA-N
XLogP6.14
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline?
The IUPAC name of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline (CID 175220233) is 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline.
What is the SMILES notation for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline?
The canonical SMILES for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline is CN1CCN(c2c(F)cc3c(ncc4c5ccc(Cl)cc5[nH]c34)c2-c2cccs2)CC1.
What is the InChIKey of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline?
The InChIKey is NWCXXHTUNBFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4S/c1-29-6-8-30(9-7-29)24-18(26)12-16-22-17(15-5-4-14(25)11-19(15)28-22)13-27-23(16)21(24)20-3-2-10-31-20/h2-5,10-13,28H,6-9H2,1H3.
What are the key properties of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline?
9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline has a molecular weight of 450.97 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-11H-indolo[3,2-c]quinoline is sourced from PubChem (CID 175220233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).