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

C22H19BrN4O — CID 3571741

IUPAC6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H19BrN4O/c1-14-3-5-16(6-4-14)21-10-19(18-9-17(23)7-8-20(18)26-21)22(28)24-11-15-12-25-27(2)13-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)
InChIKeyBPQBRZJBEFZFPE-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.64
Rot. Bonds4

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

6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 3571741) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID3571741
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H19BrN4O/c1-14-3-5-16(6-4-14)21-10-19(18-9-17(23)7-8-20(18)26-21)22(28)24-11-15-12-25-27(2)13-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)
InChIKeyBPQBRZJBEFZFPE-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 3571741) is 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is BPQBRZJBEFZFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-14-3-5-16(6-4-14)21-10-19(18-9-17(23)7-8-20(18)26-21)22(28)24-11-15-12-25-27(2)13-15/h3-10,12-13H,11H2,1-2H3,(H,24,28).
What are the key properties of 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 435.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 3571741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).