2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid

C17H13N5O2 — CID 15990225

IUPAC2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid
SMILESCc1nnc2c3ccccc3nc(Nc3ccccc3C(=O)O)n12
InChIInChI=1S/C17H13N5O2/c1-10-20-21-15-11-6-2-4-8-13(11)18-17(22(10)15)19-14-9-5-3-7-12(14)16(23)24/h2-9H,1H3,(H,18,19)(H,23,24)
InChIKeyFGKCOXBMXOSUHL-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.03
Rot. Bonds3

About 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid

2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid (PubChem CID 15990225) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid
PubChem CID15990225
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid
SMILESCc1nnc2c3ccccc3nc(Nc3ccccc3C(=O)O)n12
InChIInChI=1S/C17H13N5O2/c1-10-20-21-15-11-6-2-4-8-13(11)18-17(22(10)15)19-14-9-5-3-7-12(14)16(23)24/h2-9H,1H3,(H,18,19)(H,23,24)
InChIKeyFGKCOXBMXOSUHL-UHFFFAOYSA-N
XLogP3.03
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid with MolForge

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Related Compounds

2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid
CID 16010728
1,3-dimethyl-N-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-b]quinolin-4-amine
CID 11674624
4-[(3-amino-1H-pyrazolo[4,5-c]quinolin-4-yl)amino]benzoic acid
CID 124093768
Methyl 2-{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}benzoate
CID 2243291
2-({[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl}amino)benzoic acid
CID 5294012
Methyl 2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
Ethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308692
2-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743046
4-Methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
CID 15989724
Butyl 4-({3-methyl-[1,2,4]triazolo[4,3-C]quinazolin-5-YL}amino)benzoate
CID 16023092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid?
The IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid (CID 15990225) is 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid?
The canonical SMILES for 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid is Cc1nnc2c3ccccc3nc(Nc3ccccc3C(=O)O)n12.
What is the InChIKey of 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid?
The InChIKey is FGKCOXBMXOSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-10-20-21-15-11-6-2-4-8-13(11)18-17(22(10)15)19-14-9-5-3-7-12(14)16(23)24/h2-9H,1H3,(H,18,19)(H,23,24).
What are the key properties of 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid?
2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid has a molecular weight of 319.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoic acid is sourced from PubChem (CID 15990225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).