methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate

C14H12N4O2 — CID 171984621

IUPACmethyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(-n3cncn3)c2c1
InChIInChI=1S/C14H12N4O2/c1-9-5-13(18-8-15-7-16-18)11-6-10(14(19)20-2)3-4-12(11)17-9/h3-8H,1-2H3
InChIKeyCMUSVRJQAZWWIL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.91
Rot. Bonds2

About methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate

methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate (PubChem CID 171984621) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate
PubChem CID171984621
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namemethyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(-n3cncn3)c2c1
InChIInChI=1S/C14H12N4O2/c1-9-5-13(18-8-15-7-16-18)11-6-10(14(19)20-2)3-4-12(11)17-9/h3-8H,1-2H3
InChIKeyCMUSVRJQAZWWIL-UHFFFAOYSA-N
XLogP1.91
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate (CID 171984621) is methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(-n3cncn3)c2c1.
What is the InChIKey of methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate?
The InChIKey is CMUSVRJQAZWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-5-13(18-8-15-7-16-18)11-6-10(14(19)20-2)3-4-12(11)17-9/h3-8H,1-2H3.
What are the key properties of methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate?
methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(1,2,4-triazol-1-yl)quinoline-6-carboxylate is sourced from PubChem (CID 171984621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).