5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide

C21H15BrN2O3 — CID 35325335

IUPAC5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C21H15BrN2O3/c22-16-7-1-2-9-18(16)26-13-15-10-11-19(27-15)21(25)24-17-8-3-5-14-6-4-12-23-20(14)17/h1-12H,13H2,(H,24,25)
InChIKeyDMXZJZPZQFNFDU-UHFFFAOYSA-N
MW423.27 g/mol
LogP5.42
Rot. Bonds5

About 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide (PubChem CID 35325335) has the molecular formula C21H15BrN2O3 and a molecular weight of 423.27 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
PubChem CID35325335
Molecular FormulaC21H15BrN2O3
Molecular Weight423.27 g/mol
Exact Mass422.03
IUPAC Name5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C21H15BrN2O3/c22-16-7-1-2-9-18(16)26-13-15-10-11-19(27-15)21(25)24-17-8-3-5-14-6-4-12-23-20(14)17/h1-12H,13H2,(H,24,25)
InChIKeyDMXZJZPZQFNFDU-UHFFFAOYSA-N
XLogP5.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 4972157
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755081

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide (CID 35325335) is 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide?
The InChIKey is DMXZJZPZQFNFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O3/c22-16-7-1-2-9-18(16)26-13-15-10-11-19(27-15)21(25)24-17-8-3-5-14-6-4-12-23-20(14)17/h1-12H,13H2,(H,24,25).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide is sourced from PubChem (CID 35325335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).