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

C21H20N2O2 — CID 10854029

IUPAC15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O2/c1-13-14-7-4-5-8-16(14)19-18-15(13)9-6-10-17(18)20(24)23(21(19)25)12-11-22(2)3/h4-10H,11-12H2,1-3H3
InChIKeyWYCUKPGWKDNQDV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.46
Rot. Bonds3

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

15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10854029) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-8-methyl-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 Name15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10854029
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O2/c1-13-14-7-4-5-8-16(14)19-18-15(13)9-6-10-17(18)20(24)23(21(19)25)12-11-22(2)3/h4-10H,11-12H2,1-3H3
InChIKeyWYCUKPGWKDNQDV-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-[2-(dimethylamino)ethyl]-8-methyl-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 15-[2-(dimethylamino)ethyl]-8-methyl-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 15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10854029) is 15-[2-(dimethylamino)ethyl]-8-methyl-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 15-[2-(dimethylamino)ethyl]-8-methyl-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 15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is Cc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-8-methyl-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 WYCUKPGWKDNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-14-7-4-5-8-16(14)19-18-15(13)9-6-10-17(18)20(24)23(21(19)25)12-11-22(2)3/h4-10H,11-12H2,1-3H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-8-methyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-[2-(dimethylamino)ethyl]-8-methyl-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 332.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-8-methyl-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 10854029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).