N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide

C26H22ClFN4O5 — CID 135350244

IUPACN'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide
SMILESCNC(=O)CC(=O)N(c1ccc(F)cc1)c1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1
InChIInChI=1S/C26H22ClFN4O5/c1-29-24(33)13-25(34)32(16-6-4-15(28)5-7-16)17-10-19(27)26(31-14-17)37-21-8-9-30-20-12-23(36-3)22(35-2)11-18(20)21/h4-12,14H,13H2,1-3H3,(H,29,33)
InChIKeyVZXQMJGEWPKCQS-UHFFFAOYSA-N
MW524.94 g/mol
LogP5.03
Rot. Bonds8

About N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide

N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide (PubChem CID 135350244) has the molecular formula C26H22ClFN4O5 and a molecular weight of 524.94 g/mol. Its IUPAC name is N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide.

Molecular Properties

Compound NameN'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide
PubChem CID135350244
Molecular FormulaC26H22ClFN4O5
Molecular Weight524.94 g/mol
Exact Mass524.13
IUPAC NameN'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide
SMILESCNC(=O)CC(=O)N(c1ccc(F)cc1)c1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1
InChIInChI=1S/C26H22ClFN4O5/c1-29-24(33)13-25(34)32(16-6-4-15(28)5-7-16)17-10-19(27)26(31-14-17)37-21-8-9-30-20-12-23(36-3)22(35-2)11-18(20)21/h4-12,14H,13H2,1-3H3,(H,29,33)
InChIKeyVZXQMJGEWPKCQS-UHFFFAOYSA-N
XLogP5.03
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.94
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide with MolForge

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Related Compounds

1-N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66678729
1-N'-[5-chloro-6-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66677729
1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155674567
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
CID 11177946
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602
1-N'-[5-chloro-6-[6-methoxy-7-(methylamino)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443866
1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide
CID 154662515
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;pentanedioic acid
CID 175547685
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide?
The IUPAC name of N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide (CID 135350244) is N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide.
What is the SMILES notation for N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide?
The canonical SMILES for N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide is CNC(=O)CC(=O)N(c1ccc(F)cc1)c1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1.
What is the InChIKey of N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide?
The InChIKey is VZXQMJGEWPKCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O5/c1-29-24(33)13-25(34)32(16-6-4-15(28)5-7-16)17-10-19(27)26(31-14-17)37-21-8-9-30-20-12-23(36-3)22(35-2)11-18(20)21/h4-12,14H,13H2,1-3H3,(H,29,33).
What are the key properties of N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide?
N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide has a molecular weight of 524.94 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide is sourced from PubChem (CID 135350244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).