N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride

C24H21ClFN3O2 — CID 22397066

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(F)c3)ccc2n1.Cl
InChIInChI=1S/C24H20FN3O2.ClH/c1-15-11-22(26)21-13-18(9-10-23(21)27-15)28-24(29)20-8-3-2-5-16(20)14-30-19-7-4-6-17(25)12-19;/h2-13H,14H2,1H3,(H2,26,27)(H,28,29);1H
InChIKeyJYMAFMLKUWAQFH-UHFFFAOYSA-N
MW437.90 g/mol
LogP5.52
Rot. Bonds5

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

N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride (PubChem CID 22397066) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
PubChem CID22397066
Molecular FormulaC24H21ClFN3O2
Molecular Weight437.90 g/mol
Exact Mass437.13
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(F)c3)ccc2n1.Cl
InChIInChI=1S/C24H20FN3O2.ClH/c1-15-11-22(26)21-13-18(9-10-23(21)27-15)28-24(29)20-8-3-2-5-16(20)14-30-19-7-4-6-17(25)12-19;/h2-13H,14H2,1H3,(H2,26,27)(H,28,29);1H
InChIKeyJYMAFMLKUWAQFH-UHFFFAOYSA-N
XLogP5.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.90
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
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
[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-[(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-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
CID 11247011
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride (CID 22397066) is N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride is Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(F)c3)ccc2n1.Cl.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride?
The InChIKey is JYMAFMLKUWAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2.ClH/c1-15-11-22(26)21-13-18(9-10-23(21)27-15)28-24(29)20-8-3-2-5-16(20)14-30-19-7-4-6-17(25)12-19;/h2-13H,14H2,1H3,(H2,26,27)(H,28,29);1H.
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride?
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride has a molecular weight of 437.90 g/mol, XLogP of 5.52, 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-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride is sourced from PubChem (CID 22397066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).