11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione

C19H17N3O2 — CID 10757977

IUPAC11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
SMILESCN(C)CCN1C(=O)c2cccc3c2c(cc2cccnc23)C1=O
InChIInChI=1S/C19H17N3O2/c1-21(2)9-10-22-18(23)14-7-3-6-13-16(14)15(19(22)24)11-12-5-4-8-20-17(12)13/h3-8,11H,9-10H2,1-2H3
InChIKeyADXDYMHVHKLSJO-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.55
Rot. Bonds3

About 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione

11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione (PubChem CID 10757977) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione.

Molecular Properties

Compound Name11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
PubChem CID10757977
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
SMILESCN(C)CCN1C(=O)c2cccc3c2c(cc2cccnc23)C1=O
InChIInChI=1S/C19H17N3O2/c1-21(2)9-10-22-18(23)14-7-3-6-13-16(14)15(19(22)24)11-12-5-4-8-20-17(12)13/h3-8,11H,9-10H2,1-2H3
InChIKeyADXDYMHVHKLSJO-UHFFFAOYSA-N
XLogP2.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione?
The IUPAC name of 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione (CID 10757977) is 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione.
What is the SMILES notation for 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione?
The canonical SMILES for 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione is CN(C)CCN1C(=O)c2cccc3c2c(cc2cccnc23)C1=O.
What is the InChIKey of 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione?
The InChIKey is ADXDYMHVHKLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21(2)9-10-22-18(23)14-7-3-6-13-16(14)15(19(22)24)11-12-5-4-8-20-17(12)13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione?
11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione has a molecular weight of 319.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione is sourced from PubChem (CID 10757977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).