1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide

C21H18FN5O — CID 137375523

IUPAC1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1F
InChIInChI=1S/C21H18FN5O/c1-13(2)20-19(25-26-27(20)17-10-6-4-8-15(17)22)21(28)24-18-12-11-14-7-3-5-9-16(14)23-18/h3-13H,1-2H3,(H,23,24,28)
InChIKeyGSRGGTHLTKJOFH-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide

1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375523) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375523
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1F
InChIInChI=1S/C21H18FN5O/c1-13(2)20-19(25-26-27(20)17-10-6-4-8-15(17)22)21(28)24-18-12-11-14-7-3-5-9-16(14)23-18/h3-13H,1-2H3,(H,23,24,28)
InChIKeyGSRGGTHLTKJOFH-UHFFFAOYSA-N
XLogP4.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375507
1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375514
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 137375524
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375530
N-(6-bromoquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 137375531
5-Methyl-1-phenyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375534
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375539
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375543

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375523) is 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is GSRGGTHLTKJOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13(2)20-19(25-26-27(20)17-10-6-4-8-15(17)22)21(28)24-18-12-11-14-7-3-5-9-16(14)23-18/h3-13H,1-2H3,(H,23,24,28).
What are the key properties of 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).