10-chloro-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

C19H15ClN2O2 — CID 10854529

IUPAC10-chloro-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(Cl)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C19H15ClN2O2/c1-21-8-9-22-18(23)13-6-7-15(20)14-10-11-4-2-3-5-12(11)17(16(13)14)19(22)24/h2-7,10,21H,8-9H2,1H3
InChIKeyLOBAEYQYXWOFLJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.46
Rot. Bonds3

About 10-chloro-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-chloro-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 10854529) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 10-chloro-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-chloro-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 CID10854529
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name10-chloro-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(Cl)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C19H15ClN2O2/c1-21-8-9-22-18(23)13-6-7-15(20)14-10-11-4-2-3-5-12(11)17(16(13)14)19(22)24/h2-7,10,21H,8-9H2,1H3
InChIKeyLOBAEYQYXWOFLJ-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
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 10-chloro-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-chloro-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-chloro-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 10854529) is 10-chloro-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-chloro-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-chloro-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(Cl)c3cc4ccccc4c(c23)C1=O.
What is the InChIKey of 10-chloro-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 LOBAEYQYXWOFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-21-8-9-22-18(23)13-6-7-15(20)14-10-11-4-2-3-5-12(11)17(16(13)14)19(22)24/h2-7,10,21H,8-9H2,1H3.
What are the key properties of 10-chloro-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-chloro-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 338.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-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 10854529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).