6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C24H20BrN3O3S — CID 1023165

IUPAC6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H20BrN3O3S/c1-15-2-6-17(7-3-15)23-13-21(20-12-18(25)8-11-22(20)28-23)24(29)27-14-16-4-9-19(10-5-16)32(26,30)31/h2-13H,14H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyKKMRIHUOYQVXQW-UHFFFAOYSA-N
MW510.41 g/mol
LogP4.55
Rot. Bonds5

About 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 1023165) has the molecular formula C24H20BrN3O3S and a molecular weight of 510.41 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID1023165
Molecular FormulaC24H20BrN3O3S
Molecular Weight510.41 g/mol
Exact Mass509.04
IUPAC Name6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H20BrN3O3S/c1-15-2-6-17(7-3-15)23-13-21(20-12-18(25)8-11-22(20)28-23)24(29)27-14-16-4-9-19(10-5-16)32(26,30)31/h2-13H,14H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyKKMRIHUOYQVXQW-UHFFFAOYSA-N
XLogP4.55
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-thiophen-3-ylquinoline-4-carboxamide
CID 18729972
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 167874087
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 1023165) is 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is KKMRIHUOYQVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3S/c1-15-2-6-17(7-3-15)23-13-21(20-12-18(25)8-11-22(20)28-23)24(29)27-14-16-4-9-19(10-5-16)32(26,30)31/h2-13H,14H2,1H3,(H,27,29)(H2,26,30,31).
What are the key properties of 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 510.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1023165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).