(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

C24H18BrNO4 — CID 2382181

IUPAC(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C24H18BrNO4/c1-28-21-8-5-9-22(29-2)23(21)30-24(27)18-14-20(15-10-12-16(25)13-11-15)26-19-7-4-3-6-17(18)19/h3-14H,1-2H3
InChIKeyAVICSYBDIBWUPN-UHFFFAOYSA-N
MW464.32 g/mol
LogP5.90
Rot. Bonds5

About (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate (PubChem CID 2382181) has the molecular formula C24H18BrNO4 and a molecular weight of 464.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
PubChem CID2382181
Molecular FormulaC24H18BrNO4
Molecular Weight464.32 g/mol
Exact Mass463.04
IUPAC Name(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C24H18BrNO4/c1-28-21-8-5-9-22(29-2)23(21)30-24(27)18-14-20(15-10-12-16(25)13-11-15)26-19-7-4-3-6-17(18)19/h3-14H,1-2H3
InChIKeyAVICSYBDIBWUPN-UHFFFAOYSA-N
XLogP5.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3271979
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
(1-methoxy-1-oxopropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 16568800
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
pentyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3819494
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2383760
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate (CID 2382181) is (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate is COc1cccc(OC)c1OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The InChIKey is AVICSYBDIBWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO4/c1-28-21-8-5-9-22(29-2)23(21)30-24(27)18-14-20(15-10-12-16(25)13-11-15)26-19-7-4-3-6-17(18)19/h3-14H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate has a molecular weight of 464.32 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2382181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).