3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid

C20H20N4O3 — CID 136544792

IUPAC3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
SMILESCOc1ccc(-c2nc3n(n2)C(C)(CCC(=O)O)Nc2ccccc2-3)cc1
InChIInChI=1S/C20H20N4O3/c1-20(12-11-17(25)26)22-16-6-4-3-5-15(16)19-21-18(23-24(19)20)13-7-9-14(27-2)10-8-13/h3-10,22H,11-12H2,1-2H3,(H,25,26)
InChIKeyORLVFXMZKCBNNT-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.58
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid

3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid (PubChem CID 136544792) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
PubChem CID136544792
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
SMILESCOc1ccc(-c2nc3n(n2)C(C)(CCC(=O)O)Nc2ccccc2-3)cc1
InChIInChI=1S/C20H20N4O3/c1-20(12-11-17(25)26)22-16-6-4-3-5-15(16)19-21-18(23-24(19)20)13-7-9-14(27-2)10-8-13/h3-10,22H,11-12H2,1-2H3,(H,25,26)
InChIKeyORLVFXMZKCBNNT-UHFFFAOYSA-N
XLogP3.58
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid 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

3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
CID 137124891
5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
CID 136544798
(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
CID 137124871
(6S)-6-hexyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282083
(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282067
1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
CID 4562650
(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 98300944
3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 86806690
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
(2R)-N-[2-(dimethylamino)ethyl]-2-[[2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
CID 156637080
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid (CID 136544792) is 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid is COc1ccc(-c2nc3n(n2)C(C)(CCC(=O)O)Nc2ccccc2-3)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The InChIKey is ORLVFXMZKCBNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(12-11-17(25)26)22-16-6-4-3-5-15(16)19-21-18(23-24(19)20)13-7-9-14(27-2)10-8-13/h3-10,22H,11-12H2,1-2H3,(H,25,26).
What are the key properties of 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid has a molecular weight of 364.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid is sourced from PubChem (CID 136544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).