16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

C20H15FN2O3 — CID 54580504

IUPAC16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1F
InChIInChI=1S/C20H15FN2O3/c1-25-15-8-11(2-4-12(15)21)16-17-13(5-3-10-6-7-22-19(10)17)23-14-9-26-20(24)18(14)16/h2-8,16,22-23H,9H2,1H3
InChIKeyCWJKYYDHEMDTGZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.68
Rot. Bonds2

About 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (PubChem CID 54580504) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.

Molecular Properties

Compound Name16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
PubChem CID54580504
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1F
InChIInChI=1S/C20H15FN2O3/c1-25-15-8-11(2-4-12(15)21)16-17-13(5-3-10-6-7-22-19(10)17)23-14-9-26-20(24)18(14)16/h2-8,16,22-23H,9H2,1H3
InChIKeyCWJKYYDHEMDTGZ-UHFFFAOYSA-N
XLogP3.68
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one 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

SR 13668
CID 9845566
Maleimide derivative, 10
CID 12115602
Maleimide derivative, 9
CID 44263382
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester
CID 11247206
Methyl 3-{cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-8-fluorochromane-5-carboxylate
CID 11385494
16-(3-Hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 54585421
16-(2-Fluoro-4-methoxyphenyl)-4-methyl-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 54587397
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 3-methoxy-benzyl ester
CID 10025594
2-(3-Methoxyphenyl)-1,7-dihydropyrrolo[2,3-h]quinolin-4-one
CID 11277721
10-(3,4,5-Trimethoxyphenyl)-13-oxa-5,16-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),3,7,11(15)-pentaen-12-one
CID 53308987
21-(2-Fluoro-5-methoxyphenyl)-18-oxa-6,9,15-triazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1,3,5,7,9,11,13,16(20)-octaen-19-one
CID 118705996
16-(3,4,5-Trimethoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 18549655

Frequently Asked Questions

What is the IUPAC name of 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The IUPAC name of 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (CID 54580504) is 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.
What is the SMILES notation for 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The canonical SMILES for 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is COc1cc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1F.
What is the InChIKey of 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The InChIKey is CWJKYYDHEMDTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-25-15-8-11(2-4-12(15)21)16-17-13(5-3-10-6-7-22-19(10)17)23-14-9-26-20(24)18(14)16/h2-8,16,22-23H,9H2,1H3.
What are the key properties of 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one has a molecular weight of 350.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-fluoro-3-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is sourced from PubChem (CID 54580504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).