N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide

C34H32F2N4O6 — CID 162661683

IUPACN-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C34H32F2N4O6/c1-42-30-18-25-27(19-31(30)44-14-2-11-40-12-15-43-16-13-40)37-10-9-28(25)45-29-8-7-24(17-26(29)36)39-33(41)20-34-38-21-32(46-34)22-3-5-23(35)6-4-22/h3-10,17-19,21H,2,11-16,20H2,1H3,(H,39,41)
InChIKeyOQDVRQBYVWYAMT-UHFFFAOYSA-N
MW630.65 g/mol
LogP6.25
Rot. Bonds12

About N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide (PubChem CID 162661683) has the molecular formula C34H32F2N4O6 and a molecular weight of 630.65 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide
PubChem CID162661683
Molecular FormulaC34H32F2N4O6
Molecular Weight630.65 g/mol
Exact Mass630.23
IUPAC NameN-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C34H32F2N4O6/c1-42-30-18-25-27(19-31(30)44-14-2-11-40-12-15-43-16-13-40)37-10-9-28(25)45-29-8-7-24(17-26(29)36)39-33(41)20-34-38-21-32(46-34)22-3-5-23(35)6-4-22/h3-10,17-19,21H,2,11-16,20H2,1H3,(H,39,41)
InChIKeyOQDVRQBYVWYAMT-UHFFFAOYSA-N
XLogP6.25
TPSA108.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.65
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide?
The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide (CID 162661683) is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide is COc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide?
The InChIKey is OQDVRQBYVWYAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N4O6/c1-42-30-18-25-27(19-31(30)44-14-2-11-40-12-15-43-16-13-40)37-10-9-28(25)45-29-8-7-24(17-26(29)36)39-33(41)20-34-38-21-32(46-34)22-3-5-23(35)6-4-22/h3-10,17-19,21H,2,11-16,20H2,1H3,(H,39,41).
What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide?
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide has a molecular weight of 630.65 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetamide is sourced from PubChem (CID 162661683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).