4-(1-quinolin-2-yltriazol-4-yl)butanoic acid

C15H14N4O2 — CID 102334836

IUPAC4-(1-quinolin-2-yltriazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cn(-c2ccc3ccccc3n2)nn1
InChIInChI=1S/C15H14N4O2/c20-15(21)7-3-5-12-10-19(18-17-12)14-9-8-11-4-1-2-6-13(11)16-14/h1-2,4,6,8-10H,3,5,7H2,(H,20,21)
InChIKeyFARPGDVHQOWKQB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.22
Rot. Bonds5

About 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid

4-(1-quinolin-2-yltriazol-4-yl)butanoic acid (PubChem CID 102334836) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-quinolin-2-yltriazol-4-yl)butanoic acid
PubChem CID102334836
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(1-quinolin-2-yltriazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cn(-c2ccc3ccccc3n2)nn1
InChIInChI=1S/C15H14N4O2/c20-15(21)7-3-5-12-10-19(18-17-12)14-9-8-11-4-1-2-6-13(11)16-14/h1-2,4,6,8-10H,3,5,7H2,(H,20,21)
InChIKeyFARPGDVHQOWKQB-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013
5-[1-(4-methylphenyl)triazol-4-yl]pentanoic acid
CID 104538527
7-[4-(quinolin-2-ylmethyl)phenyl]heptanoic acid
CID 15667428
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
2,4-bis[4-(3-chloropropyl)triazol-1-yl]quinoline
CID 70685647
5-(1-pyrimidin-5-yltriazol-4-yl)pentanoic acid
CID 107588957
4-(1-benzyltriazol-4-yl)butanoic acid;4-(2H-triazol-4-yl)butanoic acid
CID 90219338
2-[[4-[4-[1-(quinolin-2-ylmethyl)triazol-4-yl]butyl]triazol-1-yl]methyl]quinoline
CID 102300514
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
5-[1-(2,5-dichlorophenyl)triazol-4-yl]pentanoic acid
CID 104538584
5-[1-(2,4-dibromophenyl)triazol-4-yl]pentanoic acid
CID 104538602
5-[1-(2,5-dimethylphenyl)triazol-4-yl]pentanoic acid
CID 104538558

Frequently Asked Questions

What is the IUPAC name of 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid?
The IUPAC name of 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid (CID 102334836) is 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid?
The canonical SMILES for 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid is O=C(O)CCCc1cn(-c2ccc3ccccc3n2)nn1.
What is the InChIKey of 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid?
The InChIKey is FARPGDVHQOWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-15(21)7-3-5-12-10-19(18-17-12)14-9-8-11-4-1-2-6-13(11)16-14/h1-2,4,6,8-10H,3,5,7H2,(H,20,21).
What are the key properties of 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid?
4-(1-quinolin-2-yltriazol-4-yl)butanoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-quinolin-2-yltriazol-4-yl)butanoic acid is sourced from PubChem (CID 102334836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).