14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione

C18H19N7O2 — CID 122472074

IUPAC14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione
SMILESCn1cc2c(n1)C(=O)NCCCCn1cc(cn1)-c1cccc(n1)C(=O)N2
InChIInChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
InChIKeyWHFKPHNLHTXXRK-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.45
Rot. Bonds

About 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione

14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione (PubChem CID 122472074) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione.

Molecular Properties

Compound Name14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione
PubChem CID122472074
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione
SMILESCn1cc2c(n1)C(=O)NCCCCn1cc(cn1)-c1cccc(n1)C(=O)N2
InChIInChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
InChIKeyWHFKPHNLHTXXRK-UHFFFAOYSA-N
XLogP1.45
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione?
The IUPAC name of 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione (CID 122472074) is 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione.
What is the SMILES notation for 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione?
The canonical SMILES for 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione is Cn1cc2c(n1)C(=O)NCCCCn1cc(cn1)-c1cccc(n1)C(=O)N2.
What is the InChIKey of 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione?
The InChIKey is WHFKPHNLHTXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26).
What are the key properties of 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione?
14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione has a molecular weight of 365.40 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-4,5,10,13,14,17,23-heptazatetracyclo[17.3.1.12,5.012,16]tetracosa-1(23),2(24),3,12,15,19,21-heptaene-11,18-dione is sourced from PubChem (CID 122472074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).