4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine

C21H20ClN5O2 — CID 68596902

IUPAC4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccccc3Cl)n12
InChIInChI=1S/C21H20ClN5O2/c1-13-20-25-24-19-17(27(20)21(23-13)15-5-3-4-6-16(15)22)11-14(12-18(19)28-2)26-7-9-29-10-8-26/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWDRWBLDUZZTZRV-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.75
Rot. Bonds3

About 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine

4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine (PubChem CID 68596902) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
PubChem CID68596902
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccccc3Cl)n12
InChIInChI=1S/C21H20ClN5O2/c1-13-20-25-24-19-17(27(20)21(23-13)15-5-3-4-6-16(15)22)11-14(12-18(19)28-2)26-7-9-29-10-8-26/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWDRWBLDUZZTZRV-UHFFFAOYSA-N
XLogP3.75
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine with MolForge

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Related Compounds

1-(2-Chlorophenyl)-6,8-Dimethoxy-3-Methylimidazo[5,1-C][1,2,4]benzotriazine
CID 60150358
Triazolo-pyridine derivative 5
CID 71295652
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
N4-(2-chloro-6-methylphenyl)-8-methoxy-N7-(2-morpholinoethyl)imidazo[1,5-a]quinoxaline-4,7-diamine
CID 44337509
1-(2,5-Dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199301
6-Methoxy-3-methyl-1-(2-methylphenyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 46200090
4-[6-Methoxy-3-methyl-1-(2-methylphenyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
CID 46200706
1-(2-Chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46200709
4-[6-Methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
CID 46200711
4-[6-Methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648862
8-Fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68596452
8-Fluoro-6-methoxy-1-(3-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68597211

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The IUPAC name of 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine (CID 68596902) is 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The canonical SMILES for 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine is COc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccccc3Cl)n12.
What is the InChIKey of 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The InChIKey is WDRWBLDUZZTZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-13-20-25-24-19-17(27(20)21(23-13)15-5-3-4-6-16(15)22)11-14(12-18(19)28-2)26-7-9-29-10-8-26/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine has a molecular weight of 409.88 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine is sourced from PubChem (CID 68596902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).