5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide

C22H17BrN2O4 — CID 95744847

IUPAC5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3ccc(COc4ccccc4Br)o3)cnc2c1
InChIInChI=1S/C22H17BrN2O4/c1-27-16-7-6-14-10-15(12-24-19(14)11-16)25-22(26)21-9-8-17(29-21)13-28-20-5-3-2-4-18(20)23/h2-12H,13H2,1H3,(H,25,26)
InChIKeyYBMSPERUZGFDOY-UHFFFAOYSA-N
MW453.29 g/mol
LogP5.43
Rot. Bonds6

About 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide (PubChem CID 95744847) has the molecular formula C22H17BrN2O4 and a molecular weight of 453.29 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
PubChem CID95744847
Molecular FormulaC22H17BrN2O4
Molecular Weight453.29 g/mol
Exact Mass452.04
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3ccc(COc4ccccc4Br)o3)cnc2c1
InChIInChI=1S/C22H17BrN2O4/c1-27-16-7-6-14-10-15(12-24-19(14)11-16)25-22(26)21-9-8-17(29-21)13-28-20-5-3-2-4-18(20)23/h2-12H,13H2,1H3,(H,25,26)
InChIKeyYBMSPERUZGFDOY-UHFFFAOYSA-N
XLogP5.43
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.29
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxyquinolin-3-yl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95744848
5-(phenoxymethyl)-N-quinolin-3-ylfuran-2-carboxamide
CID 31031057
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450369
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
N-(7-methoxyquinolin-3-yl)-4-phenylmethoxybenzamide
CID 95745112
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035
5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19467582
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide (CID 95744847) is 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide is COc1ccc2cc(NC(=O)c3ccc(COc4ccccc4Br)o3)cnc2c1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide?
The InChIKey is YBMSPERUZGFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O4/c1-27-16-7-6-14-10-15(12-24-19(14)11-16)25-22(26)21-9-8-17(29-21)13-28-20-5-3-2-4-18(20)23/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide has a molecular weight of 453.29 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 95744847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).