2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole

C23H14ClN5O — CID 6489057

IUPAC2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H14ClN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyJXEORZRSHJUJAN-UHFFFAOYSA-N
MW411.85 g/mol
LogP5.49
Rot. Bonds3

About 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 6489057) has the molecular formula C23H14ClN5O and a molecular weight of 411.85 g/mol. Its IUPAC name is 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID6489057
Molecular FormulaC23H14ClN5O
Molecular Weight411.85 g/mol
Exact Mass411.09
IUPAC Name2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H14ClN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyJXEORZRSHJUJAN-UHFFFAOYSA-N
XLogP5.49
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.85
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 3988806
2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18870507
6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
CID 2048757
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium
CID 24742691
1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione
CID 4914420
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one
CID 24851337
6-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-benzoxazin-3-one
CID 3163340
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
CID 9369350
2,5-dichloro-3-[5-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzotriazol-4-yl]oxybenzonitrile
CID 25109828
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168

Frequently Asked Questions

What is the IUPAC name of 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 6489057) is 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JXEORZRSHJUJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 411.85 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 6489057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).