11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C19H20N6O — CID 16653963

IUPAC11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCN(C)CCCn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O
InChIInChI=1S/C19H20N6O/c1-23(2)10-6-11-24-12-9-16-15(18(24)26)13-20-19-21-17(22-25(16)19)14-7-4-3-5-8-14/h3-5,7-9,12-13H,6,10-11H2,1-2H3
InChIKeyKGTSCNJSZFQOKR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.06
Rot. Bonds5

About 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 16653963) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID16653963
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCN(C)CCCn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O
InChIInChI=1S/C19H20N6O/c1-23(2)10-6-11-24-12-9-16-15(18(24)26)13-20-19-21-17(22-25(16)19)14-7-4-3-5-8-14/h3-5,7-9,12-13H,6,10-11H2,1-2H3
InChIKeyKGTSCNJSZFQOKR-UHFFFAOYSA-N
XLogP2.06
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 16653963) is 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is CN(C)CCCn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O.
What is the InChIKey of 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is KGTSCNJSZFQOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23(2)10-6-11-24-12-9-16-15(18(24)26)13-20-19-21-17(22-25(16)19)14-7-4-3-5-8-14/h3-5,7-9,12-13H,6,10-11H2,1-2H3.
What are the key properties of 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 348.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(dimethylamino)propyl]-4-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 16653963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).