15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one

C22H25FN6O3 — CID 142411821

IUPAC15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
SMILESCN(C)CCOc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O
InChIInChI=1S/C22H25FN6O3/c1-28(2)9-11-32-19-12-15-18(13-16(19)23)31-10-4-3-8-29-14-24-27-21(29)17-6-5-7-20(25-17)26-22(15)30/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,25,26,30)
InChIKeySVIBXRAEYUAADQ-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.84
Rot. Bonds4

About 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one

15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one (PubChem CID 142411821) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
PubChem CID142411821
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
SMILESCN(C)CCOc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O
InChIInChI=1S/C22H25FN6O3/c1-28(2)9-11-32-19-12-15-18(13-16(19)23)31-10-4-3-8-29-14-24-27-21(29)17-6-5-7-20(25-17)26-22(15)30/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,25,26,30)
InChIKeySVIBXRAEYUAADQ-UHFFFAOYSA-N
XLogP2.84
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The IUPAC name of 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one (CID 142411821) is 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one.
What is the SMILES notation for 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The canonical SMILES for 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one is CN(C)CCOc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The InChIKey is SVIBXRAEYUAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-28(2)9-11-32-19-12-15-18(13-16(19)23)31-10-4-3-8-29-14-24-27-21(29)17-6-5-7-20(25-17)26-22(15)30/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,25,26,30).
What are the key properties of 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one has a molecular weight of 440.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethoxy]-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one is sourced from PubChem (CID 142411821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).