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

C22H28N6O2 — CID 135475671

IUPACN,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
SMILESCN(C)CCNC(=O)c1ccc2c3c(nn2CCN(C)C)-c2cc(O)ccc2Nc13
InChIInChI=1S/C22H28N6O2/c1-26(2)10-9-23-22(30)15-6-8-18-19-20(15)24-17-7-5-14(29)13-16(17)21(19)25-28(18)12-11-27(3)4/h5-8,13,24,29H,9-12H2,1-4H3,(H,23,30)
InChIKeyWPNNUURKOVDDQA-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.32
Rot. Bonds7

About 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

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 (PubChem CID 135475671) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID135475671
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN,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
SMILESCN(C)CCNC(=O)c1ccc2c3c(nn2CCN(C)C)-c2cc(O)ccc2Nc13
InChIInChI=1S/C22H28N6O2/c1-26(2)10-9-23-22(30)15-6-8-18-19-20(15)24-17-7-5-14(29)13-16(17)21(19)25-28(18)12-11-27(3)4/h5-8,13,24,29H,9-12H2,1-4H3,(H,23,30)
InChIKeyWPNNUURKOVDDQA-UHFFFAOYSA-N
XLogP2.32
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-(7-Hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanamido)benzoic acid
CID 11494579
C 1303
CID 124496
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
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
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
N-(2-(dimethylamino)ethyl)-7-hydroxyacridine-4-carboxamide
CID 358125
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]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide
CID 11795002
5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233591

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCNC(=O)c1ccc2c3c(nn2CCN(C)C)-c2cc(O)ccc2Nc13.
What is the InChIKey of 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?
The InChIKey is WPNNUURKOVDDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-26(2)10-9-23-22(30)15-6-8-18-19-20(15)24-17-7-5-14(29)13-16(17)21(19)25-28(18)12-11-27(3)4/h5-8,13,24,29H,9-12H2,1-4H3,(H,23,30).
What are the key properties of 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?
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 has a molecular weight of 408.51 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135475671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).