1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

C19H14BrN5O — CID 137375507

IUPAC1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1Br
InChIInChI=1S/C19H14BrN5O/c1-12-18(23-24-25(12)16-9-5-3-7-14(16)20)19(26)22-17-11-10-13-6-2-4-8-15(13)21-17/h2-11H,1H3,(H,21,22,26)
InChIKeyUMNRQRGWLXOKCQ-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375507) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375507
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1Br
InChIInChI=1S/C19H14BrN5O/c1-12-18(23-24-25(12)16-9-5-3-7-14(16)20)19(26)22-17-11-10-13-6-2-4-8-15(13)21-17/h2-11H,1H3,(H,21,22,26)
InChIKeyUMNRQRGWLXOKCQ-UHFFFAOYSA-N
XLogP4.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Bromophenyl)-5-methyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375527
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-bromo-6-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375508
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-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375523
N-(6-bromoquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 137375531
1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375543
5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375551
1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375552
5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375558
1-(2-fluorophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375560

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375507) is 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is UMNRQRGWLXOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c1-12-18(23-24-25(12)16-9-5-3-7-14(16)20)19(26)22-17-11-10-13-6-2-4-8-15(13)21-17/h2-11H,1H3,(H,21,22,26).
What are the key properties of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).