(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one

C18H21FN6O2 — CID 134220655

IUPAC(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one
SMILESC/C=N\N1C=CC2=NC1C(=O)NCCOc1ncc(F)cc1[C@H]1CCCN21
InChIInChI=1S/C18H21FN6O2/c1-2-22-25-8-5-15-23-16(25)17(26)20-6-9-27-18-13(10-12(19)11-21-18)14-4-3-7-24(14)15/h2,5,8,10-11,14,16H,3-4,6-7,9H2,1H3,(H,20,26)/b22-2-/t14-,16?/m1/s1
InChIKeyNLGMHQCLBFCNOD-XPCSVHRPSA-N
MW372.40 g/mol
LogP1.43
Rot. Bonds1

About (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one

(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one (PubChem CID 134220655) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one.

Molecular Properties

Compound Name(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one
PubChem CID134220655
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one
SMILESC/C=N\N1C=CC2=NC1C(=O)NCCOc1ncc(F)cc1[C@H]1CCCN21
InChIInChI=1S/C18H21FN6O2/c1-2-22-25-8-5-15-23-16(25)17(26)20-6-9-27-18-13(10-12(19)11-21-18)14-4-3-7-24(14)15/h2,5,8,10-11,14,16H,3-4,6-7,9H2,1H3,(H,20,26)/b22-2-/t14-,16?/m1/s1
InChIKeyNLGMHQCLBFCNOD-XPCSVHRPSA-N
XLogP1.43
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one?
The IUPAC name of (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one (CID 134220655) is (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one.
What is the SMILES notation for (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one?
The canonical SMILES for (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one is C/C=N\N1C=CC2=NC1C(=O)NCCOc1ncc(F)cc1[C@H]1CCCN21.
What is the InChIKey of (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one?
The InChIKey is NLGMHQCLBFCNOD-XPCSVHRPSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-2-22-25-8-5-15-23-16(25)17(26)20-6-9-27-18-13(10-12(19)11-21-18)14-4-3-7-24(14)15/h2,5,8,10-11,14,16H,3-4,6-7,9H2,1H3,(H,20,26)/b22-2-/t14-,16?/m1/s1.
What are the key properties of (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one?
(6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one has a molecular weight of 372.40 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-19-[(Z)-ethylideneamino]-9-fluoro-13-oxa-2,11,16,19,22-pentazatetracyclo[16.3.1.02,6.07,12]docosa-1(22),7(12),8,10,20-pentaen-17-one is sourced from PubChem (CID 134220655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).