2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C25H27Cl2N3O4 — CID 139932135

IUPAC2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)c(Cl)c3)c2cc1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C25H27Cl2N3O4/c1-32-24-16-22-19(23(5-7-28-22)34-18-3-4-20(26)21(27)15-18)13-17(24)14-25(31)29-6-2-8-30-9-11-33-12-10-30/h3-5,7,13,15-16H,2,6,8-12,14H2,1H3,(H,29,31)
InChIKeyJFISUFLOCWYPRM-UHFFFAOYSA-N
MW504.41 g/mol
LogP4.72
Rot. Bonds9

About 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 139932135) has the molecular formula C25H27Cl2N3O4 and a molecular weight of 504.41 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID139932135
Molecular FormulaC25H27Cl2N3O4
Molecular Weight504.41 g/mol
Exact Mass503.14
IUPAC Name2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)c(Cl)c3)c2cc1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C25H27Cl2N3O4/c1-32-24-16-22-19(23(5-7-28-22)34-18-3-4-20(26)21(27)15-18)13-17(24)14-25(31)29-6-2-8-30-9-11-33-12-10-30/h3-5,7,13,15-16H,2,6,8-12,14H2,1H3,(H,29,31)
InChIKeyJFISUFLOCWYPRM-UHFFFAOYSA-N
XLogP4.72
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 22988091
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
CID 11431839
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]urea
CID 23022711
N-[[3-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(3-fluorophenyl)acetamide
CID 58249350
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 139932141
4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 16734304
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 150731485
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]hexan-2-one
CID 157253214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 139932135) is 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide is COc1cc2nccc(Oc3ccc(Cl)c(Cl)c3)c2cc1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is JFISUFLOCWYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O4/c1-32-24-16-22-19(23(5-7-28-22)34-18-3-4-20(26)21(27)15-18)13-17(24)14-25(31)29-6-2-8-30-9-11-33-12-10-30/h3-5,7,13,15-16H,2,6,8-12,14H2,1H3,(H,29,31).
What are the key properties of 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 504.41 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 139932135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).