9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C22H23N3O4 — CID 53385583

IUPAC9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ncccc1C3=O
InChIInChI=1S/C22H23N3O4/c1-24(2)9-6-10-25-20-18(21(26)13-7-5-8-23-19(13)20)14-11-16(28-3)17(29-4)12-15(14)22(25)27/h5,7-8,11-12H,6,9-10H2,1-4H3
InChIKeyOANWLTOLWCLRIF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.58
Rot. Bonds6

About 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 53385583) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID53385583
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ncccc1C3=O
InChIInChI=1S/C22H23N3O4/c1-24(2)9-6-10-25-20-18(21(26)13-7-5-8-23-19(13)20)14-11-16(28-3)17(29-4)12-15(14)22(25)27/h5,7-8,11-12H,6,9-10H2,1-4H3
InChIKeyOANWLTOLWCLRIF-UHFFFAOYSA-N
XLogP2.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 53385583) is 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ncccc1C3=O.
What is the InChIKey of 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is OANWLTOLWCLRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24(2)9-6-10-25-20-18(21(26)13-7-5-8-23-19(13)20)14-11-16(28-3)17(29-4)12-15(14)22(25)27/h5,7-8,11-12H,6,9-10H2,1-4H3.
What are the key properties of 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 393.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 53385583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).