9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline

C23H24ClFN4O — CID 175213633

IUPAC9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline
SMILESCC(C)On1cc2c3ccc(Cl)cc3nc-2c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C23H24ClFN4O/c1-14(2)30-29-13-18-16-5-4-15(24)10-20(16)26-23(18)17-11-19(25)22(12-21(17)29)28-8-6-27(3)7-9-28/h4-5,10-14H,6-9H2,1-3H3
InChIKeyIWELJYTWNZKNOC-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.68
Rot. Bonds3

About 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline

9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline (PubChem CID 175213633) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline.

Molecular Properties

Compound Name9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline
PubChem CID175213633
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline
SMILESCC(C)On1cc2c3ccc(Cl)cc3nc-2c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C23H24ClFN4O/c1-14(2)30-29-13-18-16-5-4-15(24)10-20(16)26-23(18)17-11-19(25)22(12-21(17)29)28-8-6-27(3)7-9-28/h4-5,10-14H,6-9H2,1-3H3
InChIKeyIWELJYTWNZKNOC-UHFFFAOYSA-N
XLogP4.68
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline?
The IUPAC name of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline (CID 175213633) is 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline.
What is the SMILES notation for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline?
The canonical SMILES for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline is CC(C)On1cc2c3ccc(Cl)cc3nc-2c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline?
The InChIKey is IWELJYTWNZKNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-14(2)30-29-13-18-16-5-4-15(24)10-20(16)26-23(18)17-11-19(25)22(12-21(17)29)28-8-6-27(3)7-9-28/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline?
9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline has a molecular weight of 426.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline is sourced from PubChem (CID 175213633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).