N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide

C26H25N3O4 — CID 22083500

IUPACN-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide
SMILESCOCOCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nccc(N)c3c2)cc1
InChIInChI=1S/C26H25N3O4/c1-31-17-32-15-18-6-9-21(10-7-18)33-16-19-4-2-3-5-22(19)26(30)29-20-8-11-25-23(14-20)24(27)12-13-28-25/h2-14H,15-17H2,1H3,(H2,27,28)(H,29,30)
InChIKeyQDZBHRNYULKIAT-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.77
Rot. Bonds9

About N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide

N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide (PubChem CID 22083500) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide
PubChem CID22083500
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide
SMILESCOCOCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nccc(N)c3c2)cc1
InChIInChI=1S/C26H25N3O4/c1-31-17-32-15-18-6-9-21(10-7-18)33-16-19-4-2-3-5-22(19)26(30)29-20-8-11-25-23(14-20)24(27)12-13-28-25/h2-14H,15-17H2,1H3,(H2,27,28)(H,29,30)
InChIKeyQDZBHRNYULKIAT-UHFFFAOYSA-N
XLogP4.77
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[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
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
CID 11247011
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
CID 11596721
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
CID 159636156
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
2-(phenoxymethyl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676056

Frequently Asked Questions

What is the IUPAC name of N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide (CID 22083500) is N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide is COCOCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nccc(N)c3c2)cc1.
What is the InChIKey of N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide?
The InChIKey is QDZBHRNYULKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-17-32-15-18-6-9-21(10-7-18)33-16-19-4-2-3-5-22(19)26(30)29-20-8-11-25-23(14-20)24(27)12-13-28-25/h2-14H,15-17H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide?
N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 22083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).