14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione

C26H23FN2O3 — CID 4897777

IUPAC14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
SMILESCN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C26H23FN2O3/c1-28(2)14-5-15-29-22(17-8-11-18(27)12-9-17)21-23(30)20-13-10-16-6-3-4-7-19(16)24(20)32-25(21)26(29)31/h3-4,6-13,22H,5,14-15H2,1-2H3
InChIKeyOFFVRTYHWBTCJB-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.58
Rot. Bonds5

About 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione

14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione (PubChem CID 4897777) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.

Molecular Properties

Compound Name14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
PubChem CID4897777
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
SMILESCN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C26H23FN2O3/c1-28(2)14-5-15-29-22(17-8-11-18(27)12-9-17)21-23(30)20-13-10-16-6-3-4-7-19(16)24(20)32-25(21)26(29)31/h3-4,6-13,22H,5,14-15H2,1-2H3
InChIKeyOFFVRTYHWBTCJB-UHFFFAOYSA-N
XLogP4.58
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione 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

(13R)-14-[3-(dimethylamino)propyl]-13-phenyl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 42066295
14-[3-(dimethylamino)propyl]-13-(4-propoxyphenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134056
(13R)-14-[3-(dimethylamino)propyl]-13-(2-methoxyphenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 42066271
13-[4-[(2-chlorophenyl)methoxy]phenyl]-14-[3-(dimethylamino)propyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134060
14-[3-(diethylamino)propyl]-13-(3-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134210
13-(3,4-dimethoxyphenyl)-14-[2-(dimethylamino)ethyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134092
14-[3-(diethylamino)propyl]-13-(4-propoxyphenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134229
13-(4-tert-butylphenyl)-14-[2-(diethylamino)ethyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134100
14-[2-(dimethylamino)ethyl]-13-(3-propoxyphenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134078
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581
(1S)-1-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7740800
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651

Frequently Asked Questions

What is the IUPAC name of 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The IUPAC name of 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione (CID 4897777) is 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.
What is the SMILES notation for 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The canonical SMILES for 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione is CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2C1c1ccc(F)cc1.
What is the InChIKey of 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The InChIKey is OFFVRTYHWBTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-28(2)14-5-15-29-22(17-8-11-18(27)12-9-17)21-23(30)20-13-10-16-6-3-4-7-19(16)24(20)32-25(21)26(29)31/h3-4,6-13,22H,5,14-15H2,1-2H3.
What are the key properties of 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione has a molecular weight of 430.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(dimethylamino)propyl]-13-(4-fluorophenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione is sourced from PubChem (CID 4897777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).