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

C25H22ClN3O4 — CID 90768602

IUPACN-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
SMILESCOc1cc2nccc(Oc3ncc(NC(=O)CCc4ccccc4)cc3Cl)c2cc1OC
InChIInChI=1S/C25H22ClN3O4/c1-31-22-13-18-20(14-23(22)32-2)27-11-10-21(18)33-25-19(26)12-17(15-28-25)29-24(30)9-8-16-6-4-3-5-7-16/h3-7,10-15H,8-9H2,1-2H3,(H,29,30)
InChIKeyLCASPHXKPIAXJZ-UHFFFAOYSA-N
MW463.92 g/mol
LogP5.66
Rot. Bonds8

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

N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide (PubChem CID 90768602) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
PubChem CID90768602
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC NameN-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
SMILESCOc1cc2nccc(Oc3ncc(NC(=O)CCc4ccccc4)cc3Cl)c2cc1OC
InChIInChI=1S/C25H22ClN3O4/c1-31-22-13-18-20(14-23(22)32-2)27-11-10-21(18)33-25-19(26)12-17(15-28-25)29-24(30)9-8-16-6-4-3-5-7-16/h3-7,10-15H,8-9H2,1-2H3,(H,29,30)
InChIKeyLCASPHXKPIAXJZ-UHFFFAOYSA-N
XLogP5.66
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
CID 142073553
ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
CID 11177946
N-(3-chlorocyclohexa-2,4-dien-1-yl)-N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanediamide
CID 134566477
N-[[5-chloro-6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]carbamothioyl]-2-phenylacetamide
CID 118612183
benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
CID 69271238
1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
CID 11626442
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide
CID 134566482
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide (CID 90768602) is N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide is COc1cc2nccc(Oc3ncc(NC(=O)CCc4ccccc4)cc3Cl)c2cc1OC.
What is the InChIKey of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is LCASPHXKPIAXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-31-22-13-18-20(14-23(22)32-2)27-11-10-21(18)33-25-19(26)12-17(15-28-25)29-24(30)9-8-16-6-4-3-5-7-16/h3-7,10-15H,8-9H2,1-2H3,(H,29,30).
What are the key properties of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide?
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 463.92 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 90768602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).