5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one

C19H18N6O — CID 11725170

IUPAC5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one
SMILESO=C1Cc2cccc(c2)Nc2nccc(n2)-c2ccnc(c2)NCCN1
InChIInChI=1S/C19H18N6O/c26-18-11-13-2-1-3-15(10-13)24-19-23-7-5-16(25-19)14-4-6-20-17(12-14)21-8-9-22-18/h1-7,10,12H,8-9,11H2,(H,20,21)(H,22,26)(H,23,24,25)
InChIKeyKZGYPVVUXWLRLC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.37
Rot. Bonds

About 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one

5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one (PubChem CID 11725170) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one.

Molecular Properties

Compound Name5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one
PubChem CID11725170
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one
SMILESO=C1Cc2cccc(c2)Nc2nccc(n2)-c2ccnc(c2)NCCN1
InChIInChI=1S/C19H18N6O/c26-18-11-13-2-1-3-15(10-13)24-19-23-7-5-16(25-19)14-4-6-20-17(12-14)21-8-9-22-18/h1-7,10,12H,8-9,11H2,(H,20,21)(H,22,26)(H,23,24,25)
InChIKeyKZGYPVVUXWLRLC-UHFFFAOYSA-N
XLogP2.37
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one?
The IUPAC name of 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one (CID 11725170) is 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one.
What is the SMILES notation for 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one?
The canonical SMILES for 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one is O=C1Cc2cccc(c2)Nc2nccc(n2)-c2ccnc(c2)NCCN1.
What is the InChIKey of 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one?
The InChIKey is KZGYPVVUXWLRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-18-11-13-2-1-3-15(10-13)24-19-23-7-5-16(25-19)14-4-6-20-17(12-14)21-8-9-22-18/h1-7,10,12H,8-9,11H2,(H,20,21)(H,22,26)(H,23,24,25).
What are the key properties of 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one?
5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one has a molecular weight of 346.39 g/mol, XLogP of 2.37, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,15,18,20,25-hexazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-14-one is sourced from PubChem (CID 11725170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).