7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C27H30FN3O5 — CID 71094204

IUPAC7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(c3F)OC(C)C4C(=O)NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C27H30FN3O5/c1-17-24(27(32)30-9-3-11-31-12-14-34-15-13-31)20-6-7-23(25(28)26(20)35-17)36-22-8-10-29-21-16-18(33-2)4-5-19(21)22/h4-8,10,16-17,24H,3,9,11-15H2,1-2H3,(H,30,32)
InChIKeyACLQOVRBTFNIPP-UHFFFAOYSA-N
MW495.55 g/mol
LogP3.88
Rot. Bonds8

About 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide

7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 71094204) has the molecular formula C27H30FN3O5 and a molecular weight of 495.55 g/mol. Its IUPAC name is 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID71094204
Molecular FormulaC27H30FN3O5
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(c3F)OC(C)C4C(=O)NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C27H30FN3O5/c1-17-24(27(32)30-9-3-11-31-12-14-34-15-13-31)20-6-7-23(25(28)26(20)35-17)36-22-8-10-29-21-16-18(33-2)4-5-19(21)22/h4-8,10,16-17,24H,3,9,11-15H2,1-2H3,(H,30,32)
InChIKeyACLQOVRBTFNIPP-UHFFFAOYSA-N
XLogP3.88
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 71094204) is 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide is COc1ccc2c(Oc3ccc4c(c3F)OC(C)C4C(=O)NCCCN3CCOCC3)ccnc2c1.
What is the InChIKey of 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is ACLQOVRBTFNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5/c1-17-24(27(32)30-9-3-11-31-12-14-34-15-13-31)20-6-7-23(25(28)26(20)35-17)36-22-8-10-29-21-16-18(33-2)4-5-19(21)22/h4-8,10,16-17,24H,3,9,11-15H2,1-2H3,(H,30,32).
What are the key properties of 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71094204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).