14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane

C21H25N3O — CID 144908958

IUPAC14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane
SMILESCC.Cc1ccc2nc3cccc4c3c(c2c1)C(=O)N4CCN(C)C
InChIInChI=1S/C19H19N3O.C2H6/c1-12-7-8-14-13(11-12)17-18-15(20-14)5-4-6-16(18)22(19(17)23)10-9-21(2)3;1-2/h4-8,11H,9-10H2,1-3H3;1-2H3
InChIKeyQKAVGNOVFHYUGN-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.24
Rot. Bonds3

About 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane

14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane (PubChem CID 144908958) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane.

Molecular Properties

Compound Name14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane
PubChem CID144908958
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane
SMILESCC.Cc1ccc2nc3cccc4c3c(c2c1)C(=O)N4CCN(C)C
InChIInChI=1S/C19H19N3O.C2H6/c1-12-7-8-14-13(11-12)17-18-15(20-14)5-4-6-16(18)22(19(17)23)10-9-21(2)3;1-2/h4-8,11H,9-10H2,1-3H3;1-2H3
InChIKeyQKAVGNOVFHYUGN-UHFFFAOYSA-N
XLogP4.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane with MolForge

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Related Compounds

14-[2-(dimethylamino)ethyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one;14-[2-(dimethylamino)ethyl]-10-nitro-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one
CID 160893782
8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154346
14-(3,5-dimethylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one
CID 139223995
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
15-[2-(dimethylamino)ethyl]-6-[(4-methylphenyl)methylideneamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
CID 16718517
10-amino-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 11724386
10-(dimethylamino)-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10570585
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione
CID 11291279
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-6-yl]-prop-2-enylcarbamic acid
CID 87507243
[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-6-yl]-octylcarbamic acid
CID 87507127

Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane?
The IUPAC name of 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane (CID 144908958) is 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane.
What is the SMILES notation for 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane?
The canonical SMILES for 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane is CC.Cc1ccc2nc3cccc4c3c(c2c1)C(=O)N4CCN(C)C.
What is the InChIKey of 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane?
The InChIKey is QKAVGNOVFHYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C2H6/c1-12-7-8-14-13(11-12)17-18-15(20-14)5-4-6-16(18)22(19(17)23)10-9-21(2)3;1-2/h4-8,11H,9-10H2,1-3H3;1-2H3.
What are the key properties of 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane?
14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane has a molecular weight of 335.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane is sourced from PubChem (CID 144908958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).