N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide

C25H22FN3O2 — CID 11247011

IUPACN-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3COc3ccc(F)cc3)cc2c(N)c1C
InChIInChI=1S/C25H22FN3O2/c1-15-16(2)28-23-12-9-19(13-22(23)24(15)27)29-25(30)21-6-4-3-5-17(21)14-31-20-10-7-18(26)8-11-20/h3-13H,14H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyPIRYYMZCFGAWLS-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.40
Rot. Bonds5

About N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide

N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide (PubChem CID 11247011) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
PubChem CID11247011
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3COc3ccc(F)cc3)cc2c(N)c1C
InChIInChI=1S/C25H22FN3O2/c1-15-16(2)28-23-12-9-19(13-22(23)24(15)27)29-25(30)21-6-4-3-5-17(21)14-31-20-10-7-18(26)8-11-20/h3-13H,14H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyPIRYYMZCFGAWLS-UHFFFAOYSA-N
XLogP5.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
CID 11596721
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide
CID 22083500
lithium;N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[[di(ethyl)amino]methyl]benzamide;nitrobenzene
CID 178177916
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide?
The IUPAC name of N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide (CID 11247011) is N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide is Cc1nc2ccc(NC(=O)c3ccccc3COc3ccc(F)cc3)cc2c(N)c1C.
What is the InChIKey of N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide?
The InChIKey is PIRYYMZCFGAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-15-16(2)28-23-12-9-19(13-22(23)24(15)27)29-25(30)21-6-4-3-5-17(21)14-31-20-10-7-18(26)8-11-20/h3-13H,14H2,1-2H3,(H2,27,28)(H,29,30).
What are the key properties of N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide?
N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 11247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).