11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione

C19H18N2O2 — CID 73294043

IUPAC11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione
SMILESCCCN1C(=O)c2c3c(nc4ccccc24)C(=O)C(C)(C)C=C31
InChIInChI=1S/C19H18N2O2/c1-4-9-21-13-10-19(2,3)17(22)16-15(13)14(18(21)23)11-7-5-6-8-12(11)20-16/h5-8,10H,4,9H2,1-3H3
InChIKeyCDRXKYLCEAGLEV-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.66
Rot. Bonds2

About 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione

11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione (PubChem CID 73294043) has the molecular formula C19H18N2O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione.

Molecular Properties

Compound Name11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione
PubChem CID73294043
Molecular FormulaC19H18N2O2
Molecular Weight306.36 g/mol
Exact Mass306.14
IUPAC Name11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione
SMILESCCCN1C(=O)c2c3c(nc4ccccc24)C(=O)C(C)(C)C=C31
InChIInChI=1S/C19H18N2O2/c1-4-9-21-13-10-19(2,3)17(22)16-15(13)14(18(21)23)11-7-5-6-8-12(11)20-16/h5-8,10H,4,9H2,1-3H3
InChIKeyCDRXKYLCEAGLEV-UHFFFAOYSA-N
XLogP3.66
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione?
The IUPAC name of 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione (CID 73294043) is 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione.
What is the SMILES notation for 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione?
The canonical SMILES for 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione is CCCN1C(=O)c2c3c(nc4ccccc24)C(=O)C(C)(C)C=C31.
What is the InChIKey of 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione?
The InChIKey is CDRXKYLCEAGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-9-21-13-10-19(2,3)17(22)16-15(13)14(18(21)23)11-7-5-6-8-12(11)20-16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione?
11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione has a molecular weight of 306.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione is sourced from PubChem (CID 73294043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).