10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C20H18N2O3 — CID 10759138

IUPAC10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCNCCN1C(=O)c2ccc(OC)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21-9-10-22-19(23)14-7-8-16(25-2)15-11-12-5-3-4-6-13(12)18(17(14)15)20(22)24/h3-8,11,21H,9-10H2,1-2H3
InChIKeySICDVFQIGZIXSO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.82
Rot. Bonds4

About 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10759138) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10759138
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCNCCN1C(=O)c2ccc(OC)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21-9-10-22-19(23)14-7-8-16(25-2)15-11-12-5-3-4-6-13(12)18(17(14)15)20(22)24/h3-8,11,21H,9-10H2,1-2H3
InChIKeySICDVFQIGZIXSO-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10759138) is 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CNCCN1C(=O)c2ccc(OC)c3cc4ccccc4c(c23)C1=O.
What is the InChIKey of 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is SICDVFQIGZIXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21-9-10-22-19(23)14-7-8-16(25-2)15-11-12-5-3-4-6-13(12)18(17(14)15)20(22)24/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 334.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-15-[2-(methylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10759138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).