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

C24H20N4O4 — CID 22083452

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3[N+](=O)[O-])ccc2n1
InChIInChI=1S/C24H20N4O4/c1-15-12-20(25)19-13-17(10-11-21(19)26-15)27-24(29)18-7-3-2-6-16(18)14-32-23-9-5-4-8-22(23)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29)
InChIKeyDKCHWYNBHCMRKN-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.86
Rot. Bonds6

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

N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide (PubChem CID 22083452) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
PubChem CID22083452
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3[N+](=O)[O-])ccc2n1
InChIInChI=1S/C24H20N4O4/c1-15-12-20(25)19-13-17(10-11-21(19)26-15)27-24(29)18-7-3-2-6-16(18)14-32-23-9-5-4-8-22(23)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29)
InChIKeyDKCHWYNBHCMRKN-UHFFFAOYSA-N
XLogP4.86
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
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-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
[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-benzylbenzamide
CID 10546941
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
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-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 22083465
N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
CID 159636156

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide (CID 22083452) is N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide is Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3[N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide?
The InChIKey is DKCHWYNBHCMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-12-20(25)19-13-17(10-11-21(19)26-15)27-24(29)18-7-3-2-6-16(18)14-32-23-9-5-4-8-22(23)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide has a molecular weight of 428.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide is sourced from PubChem (CID 22083452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).