N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide

C30H37FN4O5 — CID 143025998

IUPACN'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCNCC4)c(OC)cc23)c(F)c1
InChIInChI=1S/C30H37FN4O5/c1-3-4-5-6-12-34-29(36)30(37)35-21-7-8-26(23(31)16-21)40-25-11-15-33-24-18-28(27(38-2)17-22(24)25)39-19-20-9-13-32-14-10-20/h7-8,11,15-18,20,32H,3-6,9-10,12-14,19H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyCGQYRTCUNQTTMK-UHFFFAOYSA-N
MW552.65 g/mol
LogP5.19
Rot. Bonds12

About N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide

N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide (PubChem CID 143025998) has the molecular formula C30H37FN4O5 and a molecular weight of 552.65 g/mol. Its IUPAC name is N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
PubChem CID143025998
Molecular FormulaC30H37FN4O5
Molecular Weight552.65 g/mol
Exact Mass552.27
IUPAC NameN'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCNCC4)c(OC)cc23)c(F)c1
InChIInChI=1S/C30H37FN4O5/c1-3-4-5-6-12-34-29(36)30(37)35-21-7-8-26(23(31)16-21)40-25-11-15-33-24-18-28(27(38-2)17-22(24)25)39-19-20-9-13-32-14-10-20/h7-8,11,15-18,20,32H,3-6,9-10,12-14,19H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyCGQYRTCUNQTTMK-UHFFFAOYSA-N
XLogP5.19
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide with MolForge

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Related Compounds

N-[2-(3,4-dimethylphenyl)ethyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 58830562
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[2-(3-methylphenyl)ethyl]oxamide
CID 58830571
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 167073128
N-(cyclopropylmethyl)-N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350072
N-ethyl-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-methyloxamide
CID 67458270
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612150
4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
CID 89303527
N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24967008
N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 66669362
2-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyanilino]-2-oxoacetic acid
CID 66669350

Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide?
The IUPAC name of N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide (CID 143025998) is N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide.
What is the SMILES notation for N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide?
The canonical SMILES for N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide is CCCCCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCNCC4)c(OC)cc23)c(F)c1.
What is the InChIKey of N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide?
The InChIKey is CGQYRTCUNQTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O5/c1-3-4-5-6-12-34-29(36)30(37)35-21-7-8-26(23(31)16-21)40-25-11-15-33-24-18-28(27(38-2)17-22(24)25)39-19-20-9-13-32-14-10-20/h7-8,11,15-18,20,32H,3-6,9-10,12-14,19H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide?
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide has a molecular weight of 552.65 g/mol, XLogP of 5.19, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide is sourced from PubChem (CID 143025998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).