N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

C23H24N4O2 — CID 162763953

IUPACN-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C23H24N4O2/c1-3-26(4-2)15-13-24-22(28)19-10-7-14-27-21(19)25-20-17-9-6-5-8-16(17)11-12-18(20)23(27)29/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)
InChIKeyLDPIGJFRLSDJHG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (PubChem CID 162763953) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
PubChem CID162763953
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C23H24N4O2/c1-3-26(4-2)15-13-24-22(28)19-10-7-14-27-21(19)25-20-17-9-6-5-8-16(17)11-12-18(20)23(27)29/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)
InChIKeyLDPIGJFRLSDJHG-UHFFFAOYSA-N
XLogP3.07
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (CID 162763953) is N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is CCN(CC)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The InChIKey is LDPIGJFRLSDJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-26(4-2)15-13-24-22(28)19-10-7-14-27-21(19)25-20-17-9-6-5-8-16(17)11-12-18(20)23(27)29/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is sourced from PubChem (CID 162763953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).