methyl 3-bromoquinoline-7-carboxylate

C11H8BrNO2 — CID 117100290

IUPACmethyl 3-bromoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)cnc2c1
InChIInChI=1S/C11H8BrNO2/c1-15-11(14)8-3-2-7-4-9(12)6-13-10(7)5-8/h2-6H,1H3
InChIKeyVNTDYVPSVZJFJE-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.78
Rot. Bonds1

About methyl 3-bromoquinoline-7-carboxylate

methyl 3-bromoquinoline-7-carboxylate (PubChem CID 117100290) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is methyl 3-bromoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromoquinoline-7-carboxylate
PubChem CID117100290
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Namemethyl 3-bromoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)cnc2c1
InChIInChI=1S/C11H8BrNO2/c1-15-11(14)8-3-2-7-4-9(12)6-13-10(7)5-8/h2-6H,1H3
InChIKeyVNTDYVPSVZJFJE-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
methyl 2-aminoquinoline-7-carboxylate
CID 118266696
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
3-bromo-7-methoxyquinoline
CID 18788548
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
methyl 3-bromo-9H-pyrido[2,3-b]indole-6-carboxylate
CID 57458947
methyl 2-(bromomethyl)quinoline-7-carboxylate
CID 168980645
methyl phenazine-2-carboxylate
CID 617185
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromoquinoline-7-carboxylate?
The IUPAC name of methyl 3-bromoquinoline-7-carboxylate (CID 117100290) is methyl 3-bromoquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-bromoquinoline-7-carboxylate?
The canonical SMILES for methyl 3-bromoquinoline-7-carboxylate is COC(=O)c1ccc2cc(Br)cnc2c1.
What is the InChIKey of methyl 3-bromoquinoline-7-carboxylate?
The InChIKey is VNTDYVPSVZJFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-15-11(14)8-3-2-7-4-9(12)6-13-10(7)5-8/h2-6H,1H3.
What are the key properties of methyl 3-bromoquinoline-7-carboxylate?
methyl 3-bromoquinoline-7-carboxylate has a molecular weight of 266.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromoquinoline-7-carboxylate is sourced from PubChem (CID 117100290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).