15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione

C18H18N6O3 — CID 168951679

IUPAC15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione
SMILESCC1(C)NC(=O)c2ccc3nc2N1CCCOc1ccnc2[nH]c(=O)n-3c12
InChIInChI=1S/C18H18N6O3/c1-18(2)22-16(25)10-4-5-12-20-15(10)23(18)8-3-9-27-11-6-7-19-14-13(11)24(12)17(26)21-14/h4-7H,3,8-9H2,1-2H3,(H,22,25)(H,19,21,26)
InChIKeyHEUDUTKTUQTOGI-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.18
Rot. Bonds

About 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione

15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione (PubChem CID 168951679) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione.

Molecular Properties

Compound Name15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione
PubChem CID168951679
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione
SMILESCC1(C)NC(=O)c2ccc3nc2N1CCCOc1ccnc2[nH]c(=O)n-3c12
InChIInChI=1S/C18H18N6O3/c1-18(2)22-16(25)10-4-5-12-20-15(10)23(18)8-3-9-27-11-6-7-19-14-13(11)24(12)17(26)21-14/h4-7H,3,8-9H2,1-2H3,(H,22,25)(H,19,21,26)
InChIKeyHEUDUTKTUQTOGI-UHFFFAOYSA-N
XLogP1.18
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione?
The IUPAC name of 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione (CID 168951679) is 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione.
What is the SMILES notation for 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione?
The canonical SMILES for 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione is CC1(C)NC(=O)c2ccc3nc2N1CCCOc1ccnc2[nH]c(=O)n-3c12.
What is the InChIKey of 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione?
The InChIKey is HEUDUTKTUQTOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-18(2)22-16(25)10-4-5-12-20-15(10)23(18)8-3-9-27-11-6-7-19-14-13(11)24(12)17(26)21-14/h4-7H,3,8-9H2,1-2H3,(H,22,25)(H,19,21,26).
What are the key properties of 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione?
15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione has a molecular weight of 366.38 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-10-oxa-2,4,6,14,16,21-hexazapentacyclo[12.6.2.12,5.018,22.09,23]tricosa-1(21),5,7,9(23),18(22),19-hexaene-3,17-dione is sourced from PubChem (CID 168951679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).