N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)

C32H45FN2O5 — CID 143237097

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCC(=O)N(C)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.CCCOC
InChIInChI=1S/C22H23FN2O4.C4H10O.2C3H6/c1-5-6-22(26)25(2)14-7-8-19(16(23)11-14)29-18-9-10-24-17-13-21(28-4)20(27-3)12-15(17)18;1-3-4-5-2;2*1-3-2/h7-13H,5-6H2,1-4H3;3-4H2,1-2H3;2*3H,1H2,2H3
InChIKeyGOHYGMGEVDFQBQ-UHFFFAOYSA-N
MW556.72 g/mol
LogP8.37
Rot. Bonds9

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene) (PubChem CID 143237097) has the molecular formula C32H45FN2O5 and a molecular weight of 556.72 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene).

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)
PubChem CID143237097
Molecular FormulaC32H45FN2O5
Molecular Weight556.72 g/mol
Exact Mass556.33
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCC(=O)N(C)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.CCCOC
InChIInChI=1S/C22H23FN2O4.C4H10O.2C3H6/c1-5-6-22(26)25(2)14-7-8-19(16(23)11-14)29-18-9-10-24-17-13-21(28-4)20(27-3)12-15(17)18;1-3-4-5-2;2*1-3-2/h7-13H,5-6H2,1-4H3;3-4H2,1-2H3;2*3H,1H2,2H3
InChIKeyGOHYGMGEVDFQBQ-UHFFFAOYSA-N
XLogP8.37
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.72
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide
CID 11443521
N-ethyl-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-methyloxamide
CID 67458270
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
[4-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]piperazin-1-yl]-phenylmethanone
CID 58170285
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 154662496
N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide
CID 154400093
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
1-N'-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66669372
bicyclo[3.1.0]hexa-1(6),2,4-triene;S-[N-carbamoyl-4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluoroanilino] ethanethioate
CID 87306234
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 56847425
1-N'-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclobutane-1,1-dicarboxamide
CID 66669367

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene) (CID 143237097) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene).
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene) is C=CC.C=CC.CCCC(=O)N(C)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.CCCOC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)?
The InChIKey is GOHYGMGEVDFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4.C4H10O.2C3H6/c1-5-6-22(26)25(2)14-7-8-19(16(23)11-14)29-18-9-10-24-17-13-21(28-4)20(27-3)12-15(17)18;1-3-4-5-2;2*1-3-2/h7-13H,5-6H2,1-4H3;3-4H2,1-2H3;2*3H,1H2,2H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene) has a molecular weight of 556.72 g/mol, XLogP of 8.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene) is sourced from PubChem (CID 143237097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).