methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate

C16H11BrN2O2 — CID 17255626

IUPACmethyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O2/c1-21-16(20)13-9-15(10-4-6-18-7-5-10)19-14-3-2-11(17)8-12(13)14/h2-9H,1H3
InChIKeyVWFPXFRNENHBLJ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.85
Rot. Bonds2

About methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate

methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 17255626) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID17255626
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Namemethyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O2/c1-21-16(20)13-9-15(10-4-6-18-7-5-10)19-14-3-2-11(17)8-12(13)14/h2-9H,1H3
InChIKeyVWFPXFRNENHBLJ-UHFFFAOYSA-N
XLogP3.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
propan-2-yl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1379079
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
CID 86892310
6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 155967034
6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 166216690
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
methyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 3580852
octyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
CID 3752025

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate (CID 17255626) is methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate is COC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is VWFPXFRNENHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c1-21-16(20)13-9-15(10-4-6-18-7-5-10)19-14-3-2-11(17)8-12(13)14/h2-9H,1H3.
What are the key properties of methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate?
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 343.18 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 17255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).