1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione

C25H18ClN3O3 — CID 4786114

IUPAC1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione
SMILESO=c1c(=O)n(Cc2ncc(-c3ccccc3)o2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C25H18ClN3O3/c26-19-11-12-20-21(13-19)29(16-23-27-14-22(32-23)18-9-5-2-6-10-18)25(31)24(30)28(20)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyBLWVCWOYGFVBLM-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.57
Rot. Bonds5

About 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione

1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione (PubChem CID 4786114) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione
PubChem CID4786114
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione
SMILESO=c1c(=O)n(Cc2ncc(-c3ccccc3)o2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C25H18ClN3O3/c26-19-11-12-20-21(13-19)29(16-23-27-14-22(32-23)18-9-5-2-6-10-18)25(31)24(30)28(20)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyBLWVCWOYGFVBLM-UHFFFAOYSA-N
XLogP4.57
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-benzyl-6-chloro-4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]quinoxaline-2,3-dione
CID 4793607
5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
CID 102005963
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
CID 110879877
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,2,3-benzotriazin-4-one
CID 17446636
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 24596660
2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
CID 102005962
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 39718387
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazol-5-one
CID 167827656
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione?
The IUPAC name of 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione (CID 4786114) is 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione is O=c1c(=O)n(Cc2ncc(-c3ccccc3)o2)c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione?
The InChIKey is BLWVCWOYGFVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c26-19-11-12-20-21(13-19)29(16-23-27-14-22(32-23)18-9-5-2-6-10-18)25(31)24(30)28(20)15-17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione?
1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione has a molecular weight of 443.89 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione is sourced from PubChem (CID 4786114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).