methyl 2-(2-bromophenyl)quinoline-7-carboxylate

C17H12BrNO2 — CID 169130575

IUPACmethyl 2-(2-bromophenyl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C17H12BrNO2/c1-21-17(20)12-7-6-11-8-9-15(19-16(11)10-12)13-4-2-3-5-14(13)18/h2-10H,1H3
InChIKeyRWTYTDJLBRNBJU-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.45
Rot. Bonds2

About methyl 2-(2-bromophenyl)quinoline-7-carboxylate

methyl 2-(2-bromophenyl)quinoline-7-carboxylate (PubChem CID 169130575) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)quinoline-7-carboxylate
PubChem CID169130575
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Namemethyl 2-(2-bromophenyl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C17H12BrNO2/c1-21-17(20)12-7-6-11-8-9-15(19-16(11)10-12)13-4-2-3-5-14(13)18/h2-10H,1H3
InChIKeyRWTYTDJLBRNBJU-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-bromophenyl)quinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-bromophenyl)quinolin-7-yl]-methoxymethylidene]propanedinitrile
CID 169130549
methyl 2-aminoquinoline-7-carboxylate
CID 118266696
methyl 2-(bromomethyl)quinoline-7-carboxylate
CID 168980645
methyl phenazine-2-carboxylate
CID 617185
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
CID 169130532
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
methyl 2-[4-(2-bromophenyl)pyrimidin-2-yl]acetate
CID 116901222
methyl 2-methoxyindazole-6-carboxylate
CID 141268418

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)quinoline-7-carboxylate?
The IUPAC name of methyl 2-(2-bromophenyl)quinoline-7-carboxylate (CID 169130575) is methyl 2-(2-bromophenyl)quinoline-7-carboxylate.
What is the SMILES notation for methyl 2-(2-bromophenyl)quinoline-7-carboxylate?
The canonical SMILES for methyl 2-(2-bromophenyl)quinoline-7-carboxylate is COC(=O)c1ccc2ccc(-c3ccccc3Br)nc2c1.
What is the InChIKey of methyl 2-(2-bromophenyl)quinoline-7-carboxylate?
The InChIKey is RWTYTDJLBRNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-21-17(20)12-7-6-11-8-9-15(19-16(11)10-12)13-4-2-3-5-14(13)18/h2-10H,1H3.
What are the key properties of methyl 2-(2-bromophenyl)quinoline-7-carboxylate?
methyl 2-(2-bromophenyl)quinoline-7-carboxylate has a molecular weight of 342.19 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)quinoline-7-carboxylate is sourced from PubChem (CID 169130575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).