N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide

C32H30FN3O5 — CID 71545365

IUPACN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccoc1
InChIInChI=1S/C32H30FN3O5/c33-29-8-5-25(18-30(29)35-32(38)23-9-13-40-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)41-16-12-36-10-14-39-15-11-36/h3-9,13,17-20,34H,1-2,10-12,14-16H2,(H,35,38)
InChIKeyAXBCLVDJGXIVFQ-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.46
Rot. Bonds8

About N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide

N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide (PubChem CID 71545365) has the molecular formula C32H30FN3O5 and a molecular weight of 555.61 g/mol. Its IUPAC name is N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide
PubChem CID71545365
Molecular FormulaC32H30FN3O5
Molecular Weight555.61 g/mol
Exact Mass555.22
IUPAC NameN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccoc1
InChIInChI=1S/C32H30FN3O5/c33-29-8-5-25(18-30(29)35-32(38)23-9-13-40-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)41-16-12-36-10-14-39-15-11-36/h3-9,13,17-20,34H,1-2,10-12,14-16H2,(H,35,38)
InChIKeyAXBCLVDJGXIVFQ-UHFFFAOYSA-N
XLogP5.46
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[2-Fluoro-5-({9-[2-(Morpholin-4-Yl)ethoxy]-11-Oxo-6,11-Dihydrodibenzo[b,E]oxepin-3-Yl}amino)phenyl]benzamide
CID 71748684
N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
CID 71545361
N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]thiophene-3-carboxamide
CID 71545520
N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]thiophene-2-carboxamide
CID 71545521
N-[2-fluoro-4-methyl-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide
CID 71545524
N-[2,4-difluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
CID 71545682
N-[2,4-difluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]thiophene-3-carboxamide
CID 71545684
N-[2-fluoro-5-[[9-(2-morpholin-4-ium-4-ylethoxy)-11-oxo-6H-benzo[c][1]benzoxepin-3-yl]amino]phenyl]benzamide
CID 78225447
2-(2,4-Difluoroanilino)-7-(2-morpholin-4-yl-ethoxy)-10,11-dihydrodibenzo[a,d]-cyclohepten-5-one
CID 45280531
2-(2,4-Difluorophenylamino)-8-(2-morpholin-4-yl-ethoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
CID 45280638
8-(2,4-Difluorophenylamino)-1-(2-morpholin-4-yl-ethoxy)-10,11-dihydrodibenzo[a,d]cyclo-hepten-5-one
CID 45280695
2-(2,4-Difluorophenylamino)-7-(3-morpholin-4-yl-propoxy)-10,11-dihydrodibenzo[a,d]-cyclohepten-5-one
CID 60166991

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide (CID 71545365) is N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide is O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccoc1.
What is the InChIKey of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide?
The InChIKey is AXBCLVDJGXIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O5/c33-29-8-5-25(18-30(29)35-32(38)23-9-13-40-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)41-16-12-36-10-14-39-15-11-36/h3-9,13,17-20,34H,1-2,10-12,14-16H2,(H,35,38).
What are the key properties of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide?
N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide has a molecular weight of 555.61 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 71545365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).