N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide

C32H33FN4O5 — CID 135350055

IUPACN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide
SMILESCOc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccccc4)cc3F)ccnc12
InChIInChI=1S/C32H33FN4O5/c1-40-30-28(41-20-22-11-15-34-16-12-22)10-8-24-26(14-18-35-29(24)30)42-27-9-7-23(19-25(27)33)37-32(39)31(38)36-17-13-21-5-3-2-4-6-21/h2-10,14,18-19,22,34H,11-13,15-17,20H2,1H3,(H,36,38)(H,37,39)
InChIKeyGGUDKOWBRMUNAP-UHFFFAOYSA-N
MW572.64 g/mol
LogP4.85
Rot. Bonds10

About N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide

N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide (PubChem CID 135350055) has the molecular formula C32H33FN4O5 and a molecular weight of 572.64 g/mol. Its IUPAC name is N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide
PubChem CID135350055
Molecular FormulaC32H33FN4O5
Molecular Weight572.64 g/mol
Exact Mass572.24
IUPAC NameN'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide
SMILESCOc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccccc4)cc3F)ccnc12
InChIInChI=1S/C32H33FN4O5/c1-40-30-28(41-20-22-11-15-34-16-12-22)10-8-24-26(14-18-35-29(24)30)42-27-9-7-23(19-25(27)33)37-32(39)31(38)36-17-13-21-5-3-2-4-6-21/h2-10,14,18-19,22,34H,11-13,15-17,20H2,1H3,(H,36,38)(H,37,39)
InChIKeyGGUDKOWBRMUNAP-UHFFFAOYSA-N
XLogP4.85
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.64
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenyl)ethyl]-N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350241
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-phenacyloxamide
CID 135350103
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-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]oxamide
CID 135350107
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[2-(3-methylphenyl)ethyl]oxamide
CID 58830571
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-hexyloxamide
CID 143025998
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]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
2-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-yl]oxyanilino]-2-hydroxy-N-(2-phenylethyl)acetamide
CID 134566590

Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide (CID 135350055) is N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide is COc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccccc4)cc3F)ccnc12.
What is the InChIKey of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide?
The InChIKey is GGUDKOWBRMUNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O5/c1-40-30-28(41-20-22-11-15-34-16-12-22)10-8-24-26(14-18-35-29(24)30)42-27-9-7-23(19-25(27)33)37-32(39)31(38)36-17-13-21-5-3-2-4-6-21/h2-10,14,18-19,22,34H,11-13,15-17,20H2,1H3,(H,36,38)(H,37,39).
What are the key properties of N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide?
N'-[3-fluoro-4-[8-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-(2-phenylethyl)oxamide has a molecular weight of 572.64 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 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-(2-phenylethyl)oxamide is sourced from PubChem (CID 135350055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).