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

C20H20N4O3 — CID 137124891

IUPAC3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
SMILESCOc1cccc(-c2nc3n(n2)[C@@](C)(CCC(=O)O)Nc2ccccc2-3)c1
InChIInChI=1S/C20H20N4O3/c1-20(11-10-17(25)26)22-16-9-4-3-8-15(16)19-21-18(23-24(19)20)13-6-5-7-14(12-13)27-2/h3-9,12,22H,10-11H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyKHGCPSXBLTWNAZ-FQEVSTJZSA-N
MW364.41 g/mol
LogP3.58
Rot. Bonds5

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

3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid (PubChem CID 137124891) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
PubChem CID137124891
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
SMILESCOc1cccc(-c2nc3n(n2)[C@@](C)(CCC(=O)O)Nc2ccccc2-3)c1
InChIInChI=1S/C20H20N4O3/c1-20(11-10-17(25)26)22-16-9-4-3-8-15(16)19-21-18(23-24(19)20)13-6-5-7-14(12-13)27-2/h3-9,12,22H,10-11H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyKHGCPSXBLTWNAZ-FQEVSTJZSA-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-[(5S)-2-(3-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-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
CID 136544792
(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
CID 137124871
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide
CID 14772191
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
CID 21455291
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
[2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl acetate
CID 14772197
7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135739966

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The IUPAC name of 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid (CID 137124891) is 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid.
What is the SMILES notation for 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The canonical SMILES for 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid is COc1cccc(-c2nc3n(n2)[C@@](C)(CCC(=O)O)Nc2ccccc2-3)c1.
What is the InChIKey of 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
The InChIKey is KHGCPSXBLTWNAZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(11-10-17(25)26)22-16-9-4-3-8-15(16)19-21-18(23-24(19)20)13-6-5-7-14(12-13)27-2/h3-9,12,22H,10-11H2,1-2H3,(H,25,26)/t20-/m0/s1.
What are the key properties of 3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid?
3-[(5S)-2-(3-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-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid is sourced from PubChem (CID 137124891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).