14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione

C23H20N2O3 — CID 71654034

IUPAC14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione
SMILESCN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O
InChIInChI=1S/C23H20N2O3/c1-24(2)11-6-12-25-22(26)16-9-5-8-15-20(16)18(23(25)27)13-17-14-7-3-4-10-19(14)28-21(15)17/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyARQOPDVTTATYLI-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.29
Rot. Bonds4

About 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione

14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione (PubChem CID 71654034) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione.

Molecular Properties

Compound Name14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione
PubChem CID71654034
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione
SMILESCN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O
InChIInChI=1S/C23H20N2O3/c1-24(2)11-6-12-25-22(26)16-9-5-8-15-20(16)18(23(25)27)13-17-14-7-3-4-10-19(14)28-21(15)17/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyARQOPDVTTATYLI-UHFFFAOYSA-N
XLogP4.29
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione?
The IUPAC name of 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione (CID 71654034) is 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione.
What is the SMILES notation for 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione?
The canonical SMILES for 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione is CN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O.
What is the InChIKey of 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione?
The InChIKey is ARQOPDVTTATYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-24(2)11-6-12-25-22(26)16-9-5-8-15-20(16)18(23(25)27)13-17-14-7-3-4-10-19(14)28-21(15)17/h3-5,7-10,13H,6,11-12H2,1-2H3.
What are the key properties of 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione?
14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione has a molecular weight of 372.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(dimethylamino)propyl]-3-oxa-14-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,4,6,8,10,12(20),16,18-octaene-13,15-dione is sourced from PubChem (CID 71654034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).