6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C24H23BrN4O — CID 1312703

IUPAC6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H23BrN4O/c1-15-5-7-17(8-6-15)23-12-21(20-11-19(25)9-10-22(20)27-23)24(30)28(3)14-18-13-26-29(4)16(18)2/h5-13H,14H2,1-4H3
InChIKeyWUPQSNFWLHFMRG-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.29
Rot. Bonds4

About 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 1312703) has the molecular formula C24H23BrN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID1312703
Molecular FormulaC24H23BrN4O
Molecular Weight463.38 g/mol
Exact Mass462.11
IUPAC Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H23BrN4O/c1-15-5-7-17(8-6-15)23-12-21(20-11-19(25)9-10-22(20)27-23)24(30)28(3)14-18-13-26-29(4)16(18)2/h5-13H,14H2,1-4H3
InChIKeyWUPQSNFWLHFMRG-UHFFFAOYSA-N
XLogP5.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 1312703) is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is WUPQSNFWLHFMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O/c1-15-5-7-17(8-6-15)23-12-21(20-11-19(25)9-10-22(20)27-23)24(30)28(3)14-18-13-26-29(4)16(18)2/h5-13H,14H2,1-4H3.
What are the key properties of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1312703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).