16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione

C26H30N6O3 — CID 10939683

IUPAC16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
SMILESCOc1ccc2c(c1)c1nn(CCN3CCCC3)c3ccc4c(=O)n(CCN(C)C)c(=O)n2c4c13
InChIInChI=1S/C26H30N6O3/c1-28(2)12-14-30-25(33)18-7-9-21-22-23(27-31(21)15-13-29-10-4-5-11-29)19-16-17(35-3)6-8-20(19)32(24(18)22)26(30)34/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyLUZUZUVIZSBXNS-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.22
Rot. Bonds7

About 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione

16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione (PubChem CID 10939683) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione.

Molecular Properties

Compound Name16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
PubChem CID10939683
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
SMILESCOc1ccc2c(c1)c1nn(CCN3CCCC3)c3ccc4c(=O)n(CCN(C)C)c(=O)n2c4c13
InChIInChI=1S/C26H30N6O3/c1-28(2)12-14-30-25(33)18-7-9-21-22-23(27-31(21)15-13-29-10-4-5-11-29)19-16-17(35-3)6-8-20(19)32(24(18)22)26(30)34/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyLUZUZUVIZSBXNS-UHFFFAOYSA-N
XLogP2.22
TPSA77.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione with MolForge

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Related Compounds

16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 404464
1'-(6-Methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 70674464
14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135426710
10,16-Bis[2-(dimethylamino)ethyl]-5-methoxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399630
10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399631
16-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 10950399
16-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propyl]-5-methoxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 11123431
N-[2-(dimethylamino)ethyl]-4-hydroxy-14-(2-pyrrolidin-1-ylethyl)-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135404798
14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135440491
N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135465668
N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135471613
N,14-bis[2-(dimethylamino)ethyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135475671

Frequently Asked Questions

What is the IUPAC name of 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione?
The IUPAC name of 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione (CID 10939683) is 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione.
What is the SMILES notation for 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione?
The canonical SMILES for 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione is COc1ccc2c(c1)c1nn(CCN3CCCC3)c3ccc4c(=O)n(CCN(C)C)c(=O)n2c4c13.
What is the InChIKey of 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione?
The InChIKey is LUZUZUVIZSBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-28(2)12-14-30-25(33)18-7-9-21-22-23(27-31(21)15-13-29-10-4-5-11-29)19-16-17(35-3)6-8-20(19)32(24(18)22)26(30)34/h6-9,16H,4-5,10-15H2,1-3H3.
What are the key properties of 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione?
16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione has a molecular weight of 474.57 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2-(dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione is sourced from PubChem (CID 10939683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).