(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone

C23H24ClN5O — CID 90038207

IUPAC(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)ccc1Cl
InChIInChI=1S/C23H24ClN5O/c1-15-14-16(6-9-18(15)24)23(30)29-12-10-28(11-13-29)22-21(25-17-7-8-17)26-19-4-2-3-5-20(19)27-22/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,25,26)
InChIKeyPNEYABRHJOPSNP-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.13
Rot. Bonds4

About (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone

(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone (PubChem CID 90038207) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone
PubChem CID90038207
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)ccc1Cl
InChIInChI=1S/C23H24ClN5O/c1-15-14-16(6-9-18(15)24)23(30)29-12-10-28(11-13-29)22-21(25-17-7-8-17)26-19-4-2-3-5-20(19)27-22/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,25,26)
InChIKeyPNEYABRHJOPSNP-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone (CID 90038207) is (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone?
The InChIKey is PNEYABRHJOPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-15-14-16(6-9-18(15)24)23(30)29-12-10-28(11-13-29)22-21(25-17-7-8-17)26-19-4-2-3-5-20(19)27-22/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,25,26).
What are the key properties of (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone has a molecular weight of 421.93 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90038207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).