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

C19H17N5O2 — CID 20927479

IUPACmethyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
SMILESCCc1nnc2c3ccccc3nc(Nc3ccc(C(=O)OC)cc3)n12
InChIInChI=1S/C19H17N5O2/c1-3-16-22-23-17-14-6-4-5-7-15(14)21-19(24(16)17)20-13-10-8-12(9-11-13)18(25)26-2/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyIZPFIQXSSLLZKU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.37
Rot. Bonds4

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

methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate (PubChem CID 20927479) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
PubChem CID20927479
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namemethyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
SMILESCCc1nnc2c3ccccc3nc(Nc3ccc(C(=O)OC)cc3)n12
InChIInChI=1S/C19H17N5O2/c1-3-16-22-23-17-14-6-4-5-7-15(14)21-19(24(16)17)20-13-10-8-12(9-11-13)18(25)26-2/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyIZPFIQXSSLLZKU-UHFFFAOYSA-N
XLogP3.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 20927463
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
methyl 4-[(1-methylpyrazolo[3,4-b]quinolin-4-yl)amino]benzoate
CID 59002401
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
methyl 4-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)benzoate
CID 110435280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate?
The IUPAC name of methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate (CID 20927479) is methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate is CCc1nnc2c3ccccc3nc(Nc3ccc(C(=O)OC)cc3)n12.
What is the InChIKey of methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate?
The InChIKey is IZPFIQXSSLLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-16-22-23-17-14-6-4-5-7-15(14)21-19(24(16)17)20-13-10-8-12(9-11-13)18(25)26-2/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate?
methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate has a molecular weight of 347.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate is sourced from PubChem (CID 20927479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).