4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine

C21H20FN5O — CID 42852287

IUPAC4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nc3ccccc3c3nnc(-c4ccccc4F)n23)CC(C)O1
InChIInChI=1S/C21H20FN5O/c1-13-11-26(12-14(2)28-13)21-23-18-10-6-4-8-16(18)20-25-24-19(27(20)21)15-7-3-5-9-17(15)22/h3-10,13-14H,11-12H2,1-2H3
InChIKeyWMFAKCOGPKUGLO-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.70
Rot. Bonds2

About 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine

4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine (PubChem CID 42852287) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine
PubChem CID42852287
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nc3ccccc3c3nnc(-c4ccccc4F)n23)CC(C)O1
InChIInChI=1S/C21H20FN5O/c1-13-11-26(12-14(2)28-13)21-23-18-10-6-4-8-16(18)20-25-24-19(27(20)21)15-7-3-5-9-17(15)22/h3-10,13-14H,11-12H2,1-2H3
InChIKeyWMFAKCOGPKUGLO-UHFFFAOYSA-N
XLogP3.70
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2S,6R)-2,6-dimethyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 93329272
1-[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 46064440
(3-fluorophenyl)-[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 42864898
2,6-dimethyl-4-[9-methyl-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 42864436
8-[3-(2-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46063453
4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46164579
(2-fluorophenyl)-[4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 46064324
5-(4-methylpiperidin-1-yl)-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 46163581
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257
(2,6-difluorophenyl)-[4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 46164497
2-(4-fluorophenyl)-1-[4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]ethanone
CID 46064335
3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46044977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine (CID 42852287) is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine is CC1CN(c2nc3ccccc3c3nnc(-c4ccccc4F)n23)CC(C)O1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine?
The InChIKey is WMFAKCOGPKUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-13-11-26(12-14(2)28-13)21-23-18-10-6-4-8-16(18)20-25-24-19(27(20)21)15-7-3-5-9-17(15)22/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine?
4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine has a molecular weight of 377.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 42852287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).