[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

C17H22N4O5 — CID 74968791

IUPAC[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
SMILESCOC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1CC1NC12
InChIInChI=1S/C17H22N4O5/c1-7-11(20(2)3)14(23)10-8(6-26-16(18)24)17(25-4)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,5-6H2,1-4H3,(H2,18,24)
InChIKeyDRCNXQMGFFOXLK-UHFFFAOYSA-N
MW362.39 g/mol
LogP-1.05
Rot. Bonds4

About [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate (PubChem CID 74968791) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.

Molecular Properties

Compound Name[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
PubChem CID74968791
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
SMILESCOC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1CC1NC12
InChIInChI=1S/C17H22N4O5/c1-7-11(20(2)3)14(23)10-8(6-26-16(18)24)17(25-4)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,5-6H2,1-4H3,(H2,18,24)
InChIKeyDRCNXQMGFFOXLK-UHFFFAOYSA-N
XLogP-1.05
TPSA124.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate?
The IUPAC name of [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate (CID 74968791) is [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
What is the SMILES notation for [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate?
The canonical SMILES for [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate is COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1CC1NC12.
What is the InChIKey of [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate?
The InChIKey is DRCNXQMGFFOXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-7-11(20(2)3)14(23)10-8(6-26-16(18)24)17(25-4)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,5-6H2,1-4H3,(H2,18,24).
What are the key properties of [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate?
[11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate has a molecular weight of 362.39 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate is sourced from PubChem (CID 74968791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).