3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline

C23H22FN3 — CID 19063755

IUPAC3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline
SMILESCN1CCN(CC#Cc2ccc3cc(-c4cccc(F)c4)cnc3c2)CC1
InChIInChI=1S/C23H22FN3/c1-26-10-12-27(13-11-26)9-3-4-18-7-8-20-15-21(17-25-23(20)14-18)19-5-2-6-22(24)16-19/h2,5-8,14-17H,9-13H2,1H3
InChIKeyKQTGYGMXKXWJTP-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.64
Rot. Bonds2

About 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline

3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline (PubChem CID 19063755) has the molecular formula C23H22FN3 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline
PubChem CID19063755
Molecular FormulaC23H22FN3
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline
SMILESCN1CCN(CC#Cc2ccc3cc(-c4cccc(F)c4)cnc3c2)CC1
InChIInChI=1S/C23H22FN3/c1-26-10-12-27(13-11-26)9-3-4-18-7-8-20-15-21(17-25-23(20)14-18)19-5-2-6-22(24)16-19/h2,5-8,14-17H,9-13H2,1H3
InChIKeyKQTGYGMXKXWJTP-UHFFFAOYSA-N
XLogP3.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline?
The IUPAC name of 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline (CID 19063755) is 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline.
What is the SMILES notation for 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline?
The canonical SMILES for 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline is CN1CCN(CC#Cc2ccc3cc(-c4cccc(F)c4)cnc3c2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline?
The InChIKey is KQTGYGMXKXWJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3/c1-26-10-12-27(13-11-26)9-3-4-18-7-8-20-15-21(17-25-23(20)14-18)19-5-2-6-22(24)16-19/h2,5-8,14-17H,9-13H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline?
3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline has a molecular weight of 359.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline is sourced from PubChem (CID 19063755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).