13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione

C24H18FN3O4 — CID 10048373

IUPAC13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
SMILESCN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O
InChIInChI=1S/C24H18FN3O4/c1-27(2)9-10-28-23(29)18-17-13-11-12(25)7-8-14(13)26-20(17)22-21(19(18)24(28)30)31-15-5-3-4-6-16(15)32-22/h3-8,11,26H,9-10H2,1-2H3
InChIKeyGAZXQZAAZQGUAS-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.19
Rot. Bonds3

About 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione

13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione (PubChem CID 10048373) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione.

Molecular Properties

Compound Name13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
PubChem CID10048373
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
SMILESCN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O
InChIInChI=1S/C24H18FN3O4/c1-27(2)9-10-28-23(29)18-17-13-11-12(25)7-8-14(13)26-20(17)22-21(19(18)24(28)30)31-15-5-3-4-6-16(15)32-22/h3-8,11,26H,9-10H2,1-2H3
InChIKeyGAZXQZAAZQGUAS-UHFFFAOYSA-N
XLogP4.19
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione with MolForge

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Related Compounds

13-[2-(Dimethylamino)ethyl]-7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 9802699
7-Hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 10066948
7-Fluoro-13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 10339356
13-Methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
CID 10405956
13-[2-(Dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
CID 10431873
6-Fluoro-13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 11740107
13-[2-(Dimethylamino)ethyl]-6-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 12985519
7-Fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 12985520
17,24-Dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
CID 17983280
6-Fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
CID 17983311
ethyl 8-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-2,3-dihydro-6H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 666817
6-[2-(Dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione
CID 11453400

Frequently Asked Questions

What is the IUPAC name of 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The IUPAC name of 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione (CID 10048373) is 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione.
What is the SMILES notation for 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The canonical SMILES for 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione is CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O.
What is the InChIKey of 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The InChIKey is GAZXQZAAZQGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c1-27(2)9-10-28-23(29)18-17-13-11-12(25)7-8-14(13)26-20(17)22-21(19(18)24(28)30)31-15-5-3-4-6-16(15)32-22/h3-8,11,26H,9-10H2,1-2H3.
What are the key properties of 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione has a molecular weight of 431.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-(dimethylamino)ethyl]-7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione is sourced from PubChem (CID 10048373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).