N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C23H16Br2N2O2 — CID 4056955

IUPACN-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3Br)c3ccccc3n2)cc1
InChIInChI=1S/C23H16Br2N2O2/c1-29-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)26-22)23(28)27-21-11-8-15(24)12-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyKRZJFFNMQXAXPF-UHFFFAOYSA-N
MW512.20 g/mol
LogP6.69
Rot. Bonds4

About N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4056955) has the molecular formula C23H16Br2N2O2 and a molecular weight of 512.20 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4056955
Molecular FormulaC23H16Br2N2O2
Molecular Weight512.20 g/mol
Exact Mass509.96
IUPAC NameN-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3Br)c3ccccc3n2)cc1
InChIInChI=1S/C23H16Br2N2O2/c1-29-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)26-22)23(28)27-21-11-8-15(24)12-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyKRZJFFNMQXAXPF-UHFFFAOYSA-N
XLogP6.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.20
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 4-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4516643
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
CID 170903132
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4056955) is N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3Br)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is KRZJFFNMQXAXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Br2N2O2/c1-29-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)26-22)23(28)27-21-11-8-15(24)12-19(21)25/h2-13H,1H3,(H,27,28).
What are the key properties of N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 512.20 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4056955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).