15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C23H25N3O — CID 10844282

IUPAC15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN(C)CC(CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H25N3O/c1-25(2)13-15(14-26(3)4)21-12-19-16-8-5-6-9-17(16)23(27)18-10-7-11-20(24-21)22(18)19/h5-12,15H,13-14H2,1-4H3
InChIKeyHAGLFZDOVHALAU-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.65
Rot. Bonds5

About 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 10844282) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID10844282
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN(C)CC(CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H25N3O/c1-25(2)13-15(14-26(3)4)21-12-19-16-8-5-6-9-17(16)23(27)18-10-7-11-20(24-21)22(18)19/h5-12,15H,13-14H2,1-4H3
InChIKeyHAGLFZDOVHALAU-UHFFFAOYSA-N
XLogP3.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The IUPAC name of 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 10844282) is 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is CN(C)CC(CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2.
What is the InChIKey of 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The InChIKey is HAGLFZDOVHALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-25(2)13-15(14-26(3)4)21-12-19-16-8-5-6-9-17(16)23(27)18-10-7-11-20(24-21)22(18)19/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 359.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[1,3-bis(dimethylamino)propan-2-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 10844282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).