4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline

C25H24ClN5 — CID 145292694

IUPAC4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4cccc5[nH]ncc45)nc3c2)CC1
InChIInChI=1S/C25H24ClN5/c1-16(2)30-9-11-31(12-10-30)17(3)18-7-8-20-22(26)14-25(28-24(20)13-18)19-5-4-6-23-21(19)15-27-29-23/h4-8,13-15H,1,3,9-12H2,2H3,(H,27,29)
InChIKeyFSRTZYJRMYNMBQ-UHFFFAOYSA-N
MW429.96 g/mol
LogP5.55
Rot. Bonds4

About 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline

4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline (PubChem CID 145292694) has the molecular formula C25H24ClN5 and a molecular weight of 429.96 g/mol. Its IUPAC name is 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
PubChem CID145292694
Molecular FormulaC25H24ClN5
Molecular Weight429.96 g/mol
Exact Mass429.17
IUPAC Name4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4cccc5[nH]ncc45)nc3c2)CC1
InChIInChI=1S/C25H24ClN5/c1-16(2)30-9-11-31(12-10-30)17(3)18-7-8-20-22(26)14-25(28-24(20)13-18)19-5-4-6-23-21(19)15-27-29-23/h4-8,13-15H,1,3,9-12H2,2H3,(H,27,29)
InChIKeyFSRTZYJRMYNMBQ-UHFFFAOYSA-N
XLogP5.55
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.96
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The IUPAC name of 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline (CID 145292694) is 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline.
What is the SMILES notation for 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The canonical SMILES for 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline is C=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4cccc5[nH]ncc45)nc3c2)CC1.
What is the InChIKey of 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The InChIKey is FSRTZYJRMYNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5/c1-16(2)30-9-11-31(12-10-30)17(3)18-7-8-20-22(26)14-25(28-24(20)13-18)19-5-4-6-23-21(19)15-27-29-23/h4-8,13-15H,1,3,9-12H2,2H3,(H,27,29).
What are the key properties of 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline has a molecular weight of 429.96 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline is sourced from PubChem (CID 145292694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).