1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one

C21H18ClN3O2 — CID 70729577

IUPAC1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c1-14-12-25(18-8-6-17(22)7-9-18)20(26)13-24(14)21(27)16-10-15-4-2-3-5-19(15)23-11-16/h2-11,14H,12-13H2,1H3
InChIKeyGEPRGYBELYYFRY-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.77
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one

1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one (PubChem CID 70729577) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
PubChem CID70729577
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c1-14-12-25(18-8-6-17(22)7-9-18)20(26)13-24(14)21(27)16-10-15-4-2-3-5-19(15)23-11-16/h2-11,14H,12-13H2,1H3
InChIKeyGEPRGYBELYYFRY-UHFFFAOYSA-N
XLogP3.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one (CID 70729577) is 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one is CC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cnc2ccccc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one?
The InChIKey is GEPRGYBELYYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-12-25(18-8-6-17(22)7-9-18)20(26)13-24(14)21(27)16-10-15-4-2-3-5-19(15)23-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one?
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one has a molecular weight of 379.85 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70729577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).