4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

C20H18FN5O — CID 42864533

IUPAC4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESCc1ccc2nc(N3CCOCC3)n3c(-c4ccc(F)cc4)nnc3c2c1
InChIInChI=1S/C20H18FN5O/c1-13-2-7-17-16(12-13)19-24-23-18(14-3-5-15(21)6-4-14)26(19)20(22-17)25-8-10-27-11-9-25/h2-7,12H,8-11H2,1H3
InChIKeyYEYWWUWEAYGXFD-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.23
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (PubChem CID 42864533) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
PubChem CID42864533
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESCc1ccc2nc(N3CCOCC3)n3c(-c4ccc(F)cc4)nnc3c2c1
InChIInChI=1S/C20H18FN5O/c1-13-2-7-17-16(12-13)19-24-23-18(14-3-5-15(21)6-4-14)26(19)20(22-17)25-8-10-27-11-9-25/h2-7,12H,8-11H2,1H3
InChIKeyYEYWWUWEAYGXFD-UHFFFAOYSA-N
XLogP3.23
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-(1,4-diazepan-1-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 42852312
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439
3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46044977
[4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 46045008
(3S)-1-[3-(4-chlorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N,N-diethylpiperidine-3-carboxamide
CID 92992870
4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 46063286
(4-fluorophenyl)-[(2R)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 92993904
3-cyclohexyl-5-(1,4-diazepan-1-yl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864326
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 46045248
3-(3-methylphenyl)-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46064737

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (CID 42864533) is 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is Cc1ccc2nc(N3CCOCC3)n3c(-c4ccc(F)cc4)nnc3c2c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The InChIKey is YEYWWUWEAYGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13-2-7-17-16(12-13)19-24-23-18(14-3-5-15(21)6-4-14)26(19)20(22-17)25-8-10-27-11-9-25/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine has a molecular weight of 363.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is sourced from PubChem (CID 42864533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).