N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

C36H33F2N5O6 — CID 155779597

IUPACN-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C36H33F2N5O6/c1-46-32-20-28-26(19-29(32)40-11-12-42-13-16-47-17-14-42)30(8-10-39-28)49-31-7-4-24(18-27(31)38)41-35(44)33-34-22(9-15-48-34)21-43(36(33)45)25-5-2-23(37)3-6-25/h2-8,10,18-21,40H,9,11-17H2,1H3,(H,41,44)
InChIKeyBLNONYNHOWYRMW-UHFFFAOYSA-N
MW669.69 g/mol
LogP5.40
Rot. Bonds10

About N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 155779597) has the molecular formula C36H33F2N5O6 and a molecular weight of 669.69 g/mol. Its IUPAC name is N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
PubChem CID155779597
Molecular FormulaC36H33F2N5O6
Molecular Weight669.69 g/mol
Exact Mass669.24
IUPAC NameN-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C36H33F2N5O6/c1-46-32-20-28-26(19-29(32)40-11-12-42-13-16-47-17-14-42)30(8-10-39-28)49-31-7-4-24(18-27(31)38)41-35(44)33-34-22(9-15-48-34)21-43(36(33)45)25-5-2-23(37)3-6-25/h2-8,10,18-21,40H,9,11-17H2,1H3,(H,41,44)
InChIKeyBLNONYNHOWYRMW-UHFFFAOYSA-N
XLogP5.40
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.69
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (CID 155779597) is N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)c2cc1NCCN1CCOCC1.
What is the InChIKey of N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is BLNONYNHOWYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N5O6/c1-46-32-20-28-26(19-29(32)40-11-12-42-13-16-47-17-14-42)30(8-10-39-28)49-31-7-4-24(18-27(31)38)41-35(44)33-34-22(9-15-48-34)21-43(36(33)45)25-5-2-23(37)3-6-25/h2-8,10,18-21,40H,9,11-17H2,1H3,(H,41,44).
What are the key properties of N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 669.69 g/mol, XLogP of 5.40, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[7-methoxy-6-(2-morpholin-4-ylethylamino)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 155779597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).