N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide

C32H31FN4O6 — CID 135350103

IUPACN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide
SMILESCOc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCC(=O)c4ccccc4)cc3F)ccnc12
InChIInChI=1S/C32H31FN4O6/c1-41-30-28(42-19-20-11-14-34-15-12-20)10-8-23-26(13-16-35-29(23)30)43-27-9-7-22(17-24(27)33)37-32(40)31(39)36-18-25(38)21-5-3-2-4-6-21/h2-10,13,16-17,20,34H,11-12,14-15,18-19H2,1H3,(H,36,39)(H,37,40)
InChIKeyBRJRKCBBACWAGA-UHFFFAOYSA-N
MW586.62 g/mol
LogP4.49
Rot. Bonds10

About N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide

N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide (PubChem CID 135350103) has the molecular formula C32H31FN4O6 and a molecular weight of 586.62 g/mol. Its IUPAC name is N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide
PubChem CID135350103
Molecular FormulaC32H31FN4O6
Molecular Weight586.62 g/mol
Exact Mass586.22
IUPAC NameN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide
SMILESCOc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCC(=O)c4ccccc4)cc3F)ccnc12
InChIInChI=1S/C32H31FN4O6/c1-41-30-28(42-19-20-11-14-34-15-12-20)10-8-23-26(13-16-35-29(23)30)43-27-9-7-22(17-24(27)33)37-32(40)31(39)36-18-25(38)21-5-3-2-4-6-21/h2-10,13,16-17,20,34H,11-12,14-15,18-19H2,1H3,(H,36,39)(H,37,40)
InChIKeyBRJRKCBBACWAGA-UHFFFAOYSA-N
XLogP4.49
TPSA127.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.62
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350072
N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide
CID 135350055
N-[2-(3,5-dimethoxyphenyl)ethyl]-N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350241
N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]oxamide
CID 135350107
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350011
N'-[3-fluoro-4-[8-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 135350119
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
CID 143025998
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
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-[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-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24967008

Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide?
The IUPAC name of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide (CID 135350103) is N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide.
What is the SMILES notation for N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide?
The canonical SMILES for N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide is COc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCC(=O)c4ccccc4)cc3F)ccnc12.
What is the InChIKey of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide?
The InChIKey is BRJRKCBBACWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O6/c1-41-30-28(42-19-20-11-14-34-15-12-20)10-8-23-26(13-16-35-29(23)30)43-27-9-7-22(17-24(27)33)37-32(40)31(39)36-18-25(38)21-5-3-2-4-6-21/h2-10,13,16-17,20,34H,11-12,14-15,18-19H2,1H3,(H,36,39)(H,37,40).
What are the key properties of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide?
N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide has a molecular weight of 586.62 g/mol, XLogP of 4.49, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-phenacyloxamide is sourced from PubChem (CID 135350103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).