1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one

C19H18ClN3O — CID 20565489

IUPAC1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one
SMILESO=c1c(N2CCCCC2)nc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-8-10-15(11-9-14)23-17-7-3-2-6-16(17)21-18(19(23)24)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2
InChIKeyGEGOMFLPVMGMFI-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.03
Rot. Bonds2

About 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one

1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one (PubChem CID 20565489) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one
PubChem CID20565489
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one
SMILESO=c1c(N2CCCCC2)nc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-8-10-15(11-9-14)23-17-7-3-2-6-16(17)21-18(19(23)24)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2
InChIKeyGEGOMFLPVMGMFI-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline
CID 50764083
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
CID 118223493
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
3-amino-1-phenylquinoxalin-2-one
CID 19045865
1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
CID 59451085
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154631465
2-chloro-1-phenylbenzimidazole
CID 12675133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one (CID 20565489) is 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one is O=c1c(N2CCCCC2)nc2ccccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one?
The InChIKey is GEGOMFLPVMGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-8-10-15(11-9-14)23-17-7-3-2-6-16(17)21-18(19(23)24)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one?
1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one has a molecular weight of 339.83 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one is sourced from PubChem (CID 20565489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).