N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide

C25H20N4O2 — CID 22083457

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(C#N)c3)ccc2n1
InChIInChI=1S/C25H20N4O2/c1-16-11-23(27)22-13-19(9-10-24(22)28-16)29-25(30)21-8-3-2-6-18(21)15-31-20-7-4-5-17(12-20)14-26/h2-13H,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyPUAYIXQMKNNCMP-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.83
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide

N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide (PubChem CID 22083457) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
PubChem CID22083457
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(C#N)c3)ccc2n1
InChIInChI=1S/C25H20N4O2/c1-16-11-23(27)22-13-19(9-10-24(22)28-16)29-25(30)21-8-3-2-6-18(21)15-31-20-7-4-5-17(12-20)14-26/h2-13H,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyPUAYIXQMKNNCMP-UHFFFAOYSA-N
XLogP4.83
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
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
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
CID 11247011
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide (CID 22083457) is N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide is Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(C#N)c3)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide?
The InChIKey is PUAYIXQMKNNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-11-23(27)22-13-19(9-10-24(22)28-16)29-25(30)21-8-3-2-6-18(21)15-31-20-7-4-5-17(12-20)14-26/h2-13H,15H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide is sourced from PubChem (CID 22083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).