5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

C23H20N4O2 — CID 57381821

IUPAC5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
SMILESCCN(CC)c1ccc2c(c1)oc(=O)c1cc3cnn(-c4ccccc4)c3nc12
InChIInChI=1S/C23H20N4O2/c1-3-26(4-2)17-10-11-18-20(13-17)29-23(28)19-12-15-14-24-27(22(15)25-21(18)19)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyKLFLARRYOSTRLS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.53
Rot. Bonds4

About 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (PubChem CID 57381821) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.

Molecular Properties

Compound Name5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
PubChem CID57381821
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
SMILESCCN(CC)c1ccc2c(c1)oc(=O)c1cc3cnn(-c4ccccc4)c3nc12
InChIInChI=1S/C23H20N4O2/c1-3-26(4-2)17-10-11-18-20(13-17)29-23(28)19-12-15-14-24-27(22(15)25-21(18)19)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyKLFLARRYOSTRLS-UHFFFAOYSA-N
XLogP4.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one with MolForge

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Related Compounds

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CID 142217669
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CID 164668894
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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?
The IUPAC name of 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (CID 57381821) is 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.
What is the SMILES notation for 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?
The canonical SMILES for 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is CCN(CC)c1ccc2c(c1)oc(=O)c1cc3cnn(-c4ccccc4)c3nc12.
What is the InChIKey of 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?
The InChIKey is KLFLARRYOSTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-26(4-2)17-10-11-18-20(13-17)29-23(28)19-12-15-14-24-27(22(15)25-21(18)19)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?
5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one has a molecular weight of 384.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is sourced from PubChem (CID 57381821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).