(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone

C20H19ClN4O — CID 30510743

IUPAC(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c1-14-19(23-18-8-3-2-7-17(18)22-14)24-9-11-25(12-10-24)20(26)15-5-4-6-16(21)13-15/h2-8,13H,9-12H2,1H3
InChIKeyAMPKEADMZMHORD-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.55
Rot. Bonds2

About (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 30510743) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID30510743
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c1-14-19(23-18-8-3-2-7-17(18)22-14)24-9-11-25(12-10-24)20(26)15-5-4-6-16(21)13-15/h2-8,13H,9-12H2,1H3
InChIKeyAMPKEADMZMHORD-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]benzoate
CID 108741319
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(E)-3-(2-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108763829

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 30510743) is (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone is Cc1nc2ccccc2nc1N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is AMPKEADMZMHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-19(23-18-8-3-2-7-17(18)22-14)24-9-11-25(12-10-24)20(26)15-5-4-6-16(21)13-15/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 366.85 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 30510743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).