[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone

C23H22FN3O — CID 11328347

IUPAC[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C23H22FN3O/c24-19-5-1-16(2-6-19)23(28)18-3-9-21-17(15-18)4-10-22(25-21)27-13-11-26(12-14-27)20-7-8-20/h1-6,9-10,15,20H,7-8,11-14H2
InChIKeyWUQWVKYUTITJHA-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.89
Rot. Bonds4

About [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone

[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone (PubChem CID 11328347) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone
PubChem CID11328347
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C23H22FN3O/c24-19-5-1-16(2-6-19)23(28)18-3-9-21-17(15-18)4-10-22(25-21)27-13-11-26(12-14-27)20-7-8-20/h1-6,9-10,15,20H,7-8,11-14H2
InChIKeyWUQWVKYUTITJHA-UHFFFAOYSA-N
XLogP3.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone (CID 11328347) is [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.
What is the InChIKey of [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone?
The InChIKey is WUQWVKYUTITJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-5-1-16(2-6-19)23(28)18-3-9-21-17(15-18)4-10-22(25-21)27-13-11-26(12-14-27)20-7-8-20/h1-6,9-10,15,20H,7-8,11-14H2.
What are the key properties of [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone?
[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone has a molecular weight of 375.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 11328347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).