14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

C24H30N6O — CID 10526074

IUPAC14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(NCCN4CCCCC4)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C24H30N6O/c1-28(2)14-15-30-20-7-6-19(26-10-13-29-11-4-3-5-12-29)21-22(20)23(27-30)18-16-25-9-8-17(18)24(21)31/h6-9,16,26H,3-5,10-15H2,1-2H3
InChIKeyLBCJCBWCXIEIJR-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.10
Rot. Bonds7

About 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (PubChem CID 10526074) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.

Molecular Properties

Compound Name14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
PubChem CID10526074
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(NCCN4CCCCC4)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C24H30N6O/c1-28(2)14-15-30-20-7-6-19(26-10-13-29-11-4-3-5-12-29)21-22(20)23(27-30)18-16-25-9-8-17(18)24(21)31/h6-9,16,26H,3-5,10-15H2,1-2H3
InChIKeyLBCJCBWCXIEIJR-UHFFFAOYSA-N
XLogP3.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The IUPAC name of 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (CID 10526074) is 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.
What is the SMILES notation for 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The canonical SMILES for 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is CN(C)CCn1nc2c3c(c(NCCN4CCCCC4)ccc31)C(=O)c1ccncc1-2.
What is the InChIKey of 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The InChIKey is LBCJCBWCXIEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28(2)14-15-30-20-7-6-19(26-10-13-29-11-4-3-5-12-29)21-22(20)23(27-30)18-16-25-9-8-17(18)24(21)31/h6-9,16,26H,3-5,10-15H2,1-2H3.
What are the key properties of 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one has a molecular weight of 418.55 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is sourced from PubChem (CID 10526074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).