N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

C35H31F4N3O5 — CID 59813690

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cccc4c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C35H31F4N3O5/c1-44-32-20-27-29(21-33(32)46-15-3-12-42-13-16-45-17-14-42)40-11-10-31(27)47-24-7-8-25-22(18-24)4-2-5-26(25)34(43)41-30-19-23(35(37,38)39)6-9-28(30)36/h2,4-11,18-21H,3,12-17H2,1H3,(H,41,43)
InChIKeyQGSGJATVWIRSFX-UHFFFAOYSA-N
MW649.64 g/mol
LogP7.70
Rot. Bonds10

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813690) has the molecular formula C35H31F4N3O5 and a molecular weight of 649.64 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID59813690
Molecular FormulaC35H31F4N3O5
Molecular Weight649.64 g/mol
Exact Mass649.22
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cccc4c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C35H31F4N3O5/c1-44-32-20-27-29(21-33(32)46-15-3-12-42-13-16-45-17-14-42)40-11-10-31(27)47-24-7-8-25-22(18-24)4-2-5-26(25)34(43)41-30-19-23(35(37,38)39)6-9-28(30)36/h2,4-11,18-21H,3,12-17H2,1H3,(H,41,43)
InChIKeyQGSGJATVWIRSFX-UHFFFAOYSA-N
XLogP7.70
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.64
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,3-dimethyl-2-oxocyclobutyl)-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 58732930
6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 59813767
N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813253
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 59813774
N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813680
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
N-[2,5-difluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 168842808
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 170694452
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
CID 10348434
2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 150731485
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (CID 59813690) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cccc4c3)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is QGSGJATVWIRSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F4N3O5/c1-44-32-20-27-29(21-33(32)46-15-3-12-42-13-16-45-17-14-42)40-11-10-31(27)47-24-7-8-25-22(18-24)4-2-5-26(25)34(43)41-30-19-23(35(37,38)39)6-9-28(30)36/h2,4-11,18-21H,3,12-17H2,1H3,(H,41,43).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 649.64 g/mol, XLogP of 7.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).