18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide

C36H32FN5O5 — CID 58744862

IUPAC18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3c(cc1-2)oc1ccccc13
InChIInChI=1S/C36H32FN5O5/c1-40(12-9-22-6-4-5-10-38-22)36(44)26-21-42-28-20-30-24(23-7-2-3-8-29(23)46-30)19-31(28)47-35-32(27(37)18-25(33(35)42)34(26)43)39-11-13-41-14-16-45-17-15-41/h2-8,10,18-21,39H,9,11-17H2,1H3
InChIKeyVUGPRMPFOBGJBE-UHFFFAOYSA-N
MW633.68 g/mol
LogP5.59
Rot. Bonds8

About 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide

18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (PubChem CID 58744862) has the molecular formula C36H32FN5O5 and a molecular weight of 633.68 g/mol. Its IUPAC name is 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.

Molecular Properties

Compound Name18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
PubChem CID58744862
Molecular FormulaC36H32FN5O5
Molecular Weight633.68 g/mol
Exact Mass633.24
IUPAC Name18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3c(cc1-2)oc1ccccc13
InChIInChI=1S/C36H32FN5O5/c1-40(12-9-22-6-4-5-10-38-22)36(44)26-21-42-28-20-30-24(23-7-2-3-8-29(23)46-30)19-31(28)47-35-32(27(37)18-25(33(35)42)34(26)43)39-11-13-41-14-16-45-17-15-41/h2-8,10,18-21,39H,9,11-17H2,1H3
InChIKeyVUGPRMPFOBGJBE-UHFFFAOYSA-N
XLogP5.59
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.68
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2098333
N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220529
N-(2-methoxydibenzo[b,d]furan-3-yl)isonicotinamide
CID 2684593
N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2965581
2-(1-benzofuran-2-yl)-2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]acetamide
CID 44535503
2-(1-benzofuran-2-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 44535504
2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]acetamide
CID 44535505
2-(1-benzofuran-2-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 44535506
2-(1-benzofuran-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]acetamide
CID 44535511
2-(1-benzofuran-2-yl)-2-(4-benzylpiperidin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]acetamide
CID 44535512
N-(2-piperidin-1-ylethyl)-2-[[11-(2-piperidin-1-ylethylamino)-[1]benzofuro[3,2-b]quinolin-7-yl]oxy]acetamide
CID 137640763
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] (2S)-2-[[(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonyl]amino]propanoate
CID 145964245

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The IUPAC name of 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (CID 58744862) is 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.
What is the SMILES notation for 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The canonical SMILES for 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3c(cc1-2)oc1ccccc13.
What is the InChIKey of 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The InChIKey is VUGPRMPFOBGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN5O5/c1-40(12-9-22-6-4-5-10-38-22)36(44)26-21-42-28-20-30-24(23-7-2-3-8-29(23)46-30)19-31(28)47-35-32(27(37)18-25(33(35)42)34(26)43)39-11-13-41-14-16-45-17-15-41/h2-8,10,18-21,39H,9,11-17H2,1H3.
What are the key properties of 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide has a molecular weight of 633.68 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-N-methyl-17-(2-morpholin-4-ylethylamino)-21-oxo-N-(2-pyridin-2-ylethyl)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is sourced from PubChem (CID 58744862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).