N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide

C24H19BrN2O2 — CID 126187586

IUPACN-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)cc1
InChIInChI=1S/C24H19BrN2O2/c1-16-4-10-19(11-5-16)29-15-17-6-8-18(9-7-17)24(28)27-22-13-12-21(25)20-3-2-14-26-23(20)22/h2-14H,15H2,1H3,(H,27,28)
InChIKeyBBNAYWILQZKZEG-UHFFFAOYSA-N
MW447.33 g/mol
LogP6.14
Rot. Bonds5

About N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide

N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide (PubChem CID 126187586) has the molecular formula C24H19BrN2O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
PubChem CID126187586
Molecular FormulaC24H19BrN2O2
Molecular Weight447.33 g/mol
Exact Mass446.06
IUPAC NameN-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)cc1
InChIInChI=1S/C24H19BrN2O2/c1-16-4-10-19(11-5-16)29-15-17-6-8-18(9-7-17)24(28)27-22-13-12-21(25)20-3-2-14-26-23(20)22/h2-14H,15H2,1H3,(H,27,28)
InChIKeyBBNAYWILQZKZEG-UHFFFAOYSA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19413235
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
N-[2-[[4-(4-methylphenyl)phenyl]methoxy]-3-pyridinyl]benzamide
CID 140808958
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate
CID 126186619
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
[8-[(4-fluorobenzoyl)amino]quinolin-5-yl] 4-methylbenzenesulfonate
CID 138976021

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide (CID 126187586) is N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)cc1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide?
The InChIKey is BBNAYWILQZKZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2/c1-16-4-10-19(11-5-16)29-15-17-6-8-18(9-7-17)24(28)27-22-13-12-21(25)20-3-2-14-26-23(20)22/h2-14H,15H2,1H3,(H,27,28).
What are the key properties of N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide?
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide has a molecular weight of 447.33 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 126187586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).