N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

C22H16BrClN2O3 — CID 19413235

IUPACN-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)o2)ccc1Cl
InChIInChI=1S/C22H16BrClN2O3/c1-13-11-14(4-7-18(13)24)28-12-15-5-9-20(29-15)22(27)26-19-8-6-17(23)16-3-2-10-25-21(16)19/h2-11H,12H2,1H3,(H,26,27)
InChIKeyXPNNQKXNLKWDQO-UHFFFAOYSA-N
MW471.74 g/mol
LogP6.38
Rot. Bonds5

About N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19413235) has the molecular formula C22H16BrClN2O3 and a molecular weight of 471.74 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19413235
Molecular FormulaC22H16BrClN2O3
Molecular Weight471.74 g/mol
Exact Mass470.00
IUPAC NameN-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)o2)ccc1Cl
InChIInChI=1S/C22H16BrClN2O3/c1-13-11-14(4-7-18(13)24)28-12-15-5-9-20(29-15)22(27)26-19-8-6-17(23)16-3-2-10-25-21(16)19/h2-11H,12H2,1H3,(H,26,27)
InChIKeyXPNNQKXNLKWDQO-UHFFFAOYSA-N
XLogP6.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.74
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
CID 126187586
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417052

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (CID 19413235) is N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)o2)ccc1Cl.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is XPNNQKXNLKWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O3/c1-13-11-14(4-7-18(13)24)28-12-15-5-9-20(29-15)22(27)26-19-8-6-17(23)16-3-2-10-25-21(16)19/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 471.74 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).