14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one

C19H19N5O2 — CID 144918208

IUPAC14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one
SMILES[H]/N=C1/CCCNCCOc2cccc(c2)-c2cnn3ccc(nc23)C1=O
InChIInChI=1S/C19H19N5O2/c20-16-5-2-7-21-8-10-26-14-4-1-3-13(11-14)15-12-22-24-9-6-17(18(16)25)23-19(15)24/h1,3-4,6,9,11-12,20-21H,2,5,7-8,10H2/b20-16-
InChIKeySLTWJZFSOCCNJS-SILNSSARSA-N
MW349.39 g/mol
LogP2.36
Rot. Bonds

About 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one

14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one (PubChem CID 144918208) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one.

Molecular Properties

Compound Name14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one
PubChem CID144918208
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one
SMILES[H]/N=C1/CCCNCCOc2cccc(c2)-c2cnn3ccc(nc23)C1=O
InChIInChI=1S/C19H19N5O2/c20-16-5-2-7-21-8-10-26-14-4-1-3-13(11-14)15-12-22-24-9-6-17(18(16)25)23-19(15)24/h1,3-4,6,9,11-12,20-21H,2,5,7-8,10H2/b20-16-
InChIKeySLTWJZFSOCCNJS-SILNSSARSA-N
XLogP2.36
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one?
The IUPAC name of 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one (CID 144918208) is 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one.
What is the SMILES notation for 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one?
The canonical SMILES for 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one is [H]/N=C1/CCCNCCOc2cccc(c2)-c2cnn3ccc(nc23)C1=O.
What is the InChIKey of 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one?
The InChIKey is SLTWJZFSOCCNJS-SILNSSARSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-16-5-2-7-21-8-10-26-14-4-1-3-13(11-14)15-12-22-24-9-6-17(18(16)25)23-19(15)24/h1,3-4,6,9,11-12,20-21H,2,5,7-8,10H2/b20-16-.
What are the key properties of 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one?
14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one has a molecular weight of 349.39 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-imino-7-oxa-10,19,20,23-tetrazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2(24),3,5,16(23),17,20-heptaen-15-one is sourced from PubChem (CID 144918208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).