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

C15H20N6O — CID 16653978

IUPAC11-[3-(dimethylamino)propyl]-4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nc2ncc3c(=O)n(CCCN(C)C)ccc3n2n1
InChIInChI=1S/C15H20N6O/c1-4-13-17-15-16-10-11-12(21(15)18-13)6-9-20(14(11)22)8-5-7-19(2)3/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyFPWCTRWXZPNQRT-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds5

About 11-[3-(dimethylamino)propyl]-4-ethyl-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-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 16653978) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 11-[3-(dimethylamino)propyl]-4-ethyl-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-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID16653978
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name11-[3-(dimethylamino)propyl]-4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nc2ncc3c(=O)n(CCCN(C)C)ccc3n2n1
InChIInChI=1S/C15H20N6O/c1-4-13-17-15-16-10-11-12(21(15)18-13)6-9-20(14(11)22)8-5-7-19(2)3/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyFPWCTRWXZPNQRT-UHFFFAOYSA-N
XLogP0.95
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[3-(dimethylamino)propyl]-4-ethyl-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-ethyl-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-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 16653978) is 11-[3-(dimethylamino)propyl]-4-ethyl-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-ethyl-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-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is CCc1nc2ncc3c(=O)n(CCCN(C)C)ccc3n2n1.
What is the InChIKey of 11-[3-(dimethylamino)propyl]-4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is FPWCTRWXZPNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-4-13-17-15-16-10-11-12(21(15)18-13)6-9-20(14(11)22)8-5-7-19(2)3/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 11-[3-(dimethylamino)propyl]-4-ethyl-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-ethyl-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 300.37 g/mol, XLogP of 0.95, 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-ethyl-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 16653978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).