N,14-bis[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-carboxamide

C23H30N6O2 — CID 135501695

IUPACN,14-bis[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-carboxamide
SMILESCOc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc(C(=O)NCCN(C)C)c(c13)N2
InChIInChI=1S/C23H30N6O2/c1-27(2)11-10-24-23(30)16-7-9-19-20-21(16)25-18-8-6-15(31-5)14-17(18)22(20)26-29(19)13-12-28(3)4/h6-9,14,25H,10-13H2,1-5H3,(H,24,30)
InChIKeyOTVYOCVJQWERRL-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.62
Rot. Bonds8

About N,14-bis[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-carboxamide

N,14-bis[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-carboxamide (PubChem CID 135501695) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N,14-bis[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-carboxamide.

Molecular Properties

Compound NameN,14-bis[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-carboxamide
PubChem CID135501695
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN,14-bis[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-carboxamide
SMILESCOc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc(C(=O)NCCN(C)C)c(c13)N2
InChIInChI=1S/C23H30N6O2/c1-27(2)11-10-24-23(30)16-7-9-19-20-21(16)25-18-8-6-15(31-5)14-17(18)22(20)26-29(19)13-12-28(3)4/h6-9,14,25H,10-13H2,1-5H3,(H,24,30)
InChIKeyOTVYOCVJQWERRL-UHFFFAOYSA-N
XLogP2.62
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,14-bis[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-carboxamide 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
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
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 9977071
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 10478193
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66605756
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
4-Acridinecarboxamide, N-(2-(dimethylamino)ethyl)-7-methoxy-
CID 135684
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-7-methoxy-
CID 150233
9-amino-N-[2-(dimethylamino)ethyl]-2-methoxyacridine-4-carboxamide
CID 150529
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

Frequently Asked Questions

What is the IUPAC name of N,14-bis[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-carboxamide?
The IUPAC name of N,14-bis[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-carboxamide (CID 135501695) is N,14-bis[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-carboxamide.
What is the SMILES notation for N,14-bis[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-carboxamide?
The canonical SMILES for N,14-bis[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-carboxamide is COc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc(C(=O)NCCN(C)C)c(c13)N2.
What is the InChIKey of N,14-bis[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-carboxamide?
The InChIKey is OTVYOCVJQWERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-27(2)11-10-24-23(30)16-7-9-19-20-21(16)25-18-8-6-15(31-5)14-17(18)22(20)26-29(19)13-12-28(3)4/h6-9,14,25H,10-13H2,1-5H3,(H,24,30).
What are the key properties of N,14-bis[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-carboxamide?
N,14-bis[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-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,14-bis[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-carboxamide is sourced from PubChem (CID 135501695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).