[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H22F3N5O — CID 90037347

IUPAC[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)16-5-3-4-15(14-16)22(32)31-12-10-30(11-13-31)21-20(27-17-8-9-17)28-18-6-1-2-7-19(18)29-21/h1-7,14,17H,8-13H2,(H,27,28)
InChIKeyXQQWMEVKULNRRA-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.19
Rot. Bonds4

About [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 90037347) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID90037347
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)16-5-3-4-15(14-16)22(32)31-12-10-30(11-13-31)21-20(27-17-8-9-17)28-18-6-1-2-7-19(18)29-21/h1-7,14,17H,8-13H2,(H,27,28)
InChIKeyXQQWMEVKULNRRA-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 73050885
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069
N-cyclopropyl-3-[4-[(3-propan-2-ylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172841840
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 119720576
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 7615282
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 90037347) is [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1.
What is the InChIKey of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XQQWMEVKULNRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c24-23(25,26)16-5-3-4-15(14-16)22(32)31-12-10-30(11-13-31)21-20(27-17-8-9-17)28-18-6-1-2-7-19(18)29-21/h1-7,14,17H,8-13H2,(H,27,28).
What are the key properties of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 441.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90037347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).