6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C23H24BrN3O2 — CID 2933815

IUPAC6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C23H24BrN3O2/c1-16-2-4-17(5-3-16)22-15-20(19-14-18(24)6-7-21(19)26-22)23(28)25-8-9-27-10-12-29-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,28)
InChIKeyZEBZAGSPRSWCLD-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.03
Rot. Bonds5

About 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 2933815) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID2933815
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C23H24BrN3O2/c1-16-2-4-17(5-3-16)22-15-20(19-14-18(24)6-7-21(19)26-22)23(28)25-8-9-27-10-12-29-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,28)
InChIKeyZEBZAGSPRSWCLD-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 2933815) is 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is ZEBZAGSPRSWCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c1-16-2-4-17(5-3-16)22-15-20(19-14-18(24)6-7-21(19)26-22)23(28)25-8-9-27-10-12-29-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,28).
What are the key properties of 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 454.37 g/mol, XLogP of 4.03, 5 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-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2933815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).