N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C25H21BrN2O4 — CID 42993277

IUPACN-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H21BrN2O4/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-17(16-8-4-6-10-19(16)27-21)25(29)28-20-11-7-5-9-18(20)26/h4-14H,1-3H3,(H,28,29)
InChIKeyCRFCTZHVGXAPCR-UHFFFAOYSA-N
MW493.36 g/mol
LogP5.94
Rot. Bonds6

About N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 42993277) has the molecular formula C25H21BrN2O4 and a molecular weight of 493.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID42993277
Molecular FormulaC25H21BrN2O4
Molecular Weight493.36 g/mol
Exact Mass492.07
IUPAC NameN-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H21BrN2O4/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-17(16-8-4-6-10-19(16)27-21)25(29)28-20-11-7-5-9-18(20)26/h4-14H,1-3H3,(H,28,29)
InChIKeyCRFCTZHVGXAPCR-UHFFFAOYSA-N
XLogP5.94
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46461794
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 42993277) is N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CRFCTZHVGXAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O4/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-17(16-8-4-6-10-19(16)27-21)25(29)28-20-11-7-5-9-18(20)26/h4-14H,1-3H3,(H,28,29).
What are the key properties of N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 493.36 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 42993277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).