12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

C20H22N4O2 — CID 20867975

IUPAC12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
SMILESCN(C)CCNc1cc(N(C)C)c2noc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C20H22N4O2/c1-23(2)10-9-21-14-11-15(24(3)4)18-17-16(14)19(25)12-7-5-6-8-13(12)20(17)26-22-18/h5-8,11,21H,9-10H2,1-4H3
InChIKeyWAVPMSOMYYNGJC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.08
Rot. Bonds5

About 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one (PubChem CID 20867975) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
PubChem CID20867975
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
SMILESCN(C)CCNc1cc(N(C)C)c2noc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C20H22N4O2/c1-23(2)10-9-21-14-11-15(24(3)4)18-17-16(14)19(25)12-7-5-6-8-13(12)20(17)26-22-18/h5-8,11,21H,9-10H2,1-4H3
InChIKeyWAVPMSOMYYNGJC-UHFFFAOYSA-N
XLogP3.08
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'quinone_B(5)', 'substructure': 'N/A'}

Analyze 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one (CID 20867975) is 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one is CN(C)CCNc1cc(N(C)C)c2noc3c2c1C(=O)c1ccccc1-3.
What is the InChIKey of 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is WAVPMSOMYYNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)10-9-21-14-11-15(24(3)4)18-17-16(14)19(25)12-7-5-6-8-13(12)20(17)26-22-18/h5-8,11,21H,9-10H2,1-4H3.
What are the key properties of 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 350.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dimethylamino)-10-[2-(dimethylamino)ethylamino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 20867975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).