14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one

C20H19N3O2 — CID 71112073

IUPAC14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
SMILESO=c1c2ccc(-c3ccccn3)cc2nc2n1CC1COCC1CC2
InChIInChI=1S/C20H19N3O2/c24-20-16-6-4-13(17-3-1-2-8-21-17)9-18(16)22-19-7-5-14-11-25-12-15(14)10-23(19)20/h1-4,6,8-9,14-15H,5,7,10-12H2
InChIKeyIOLURBDIAQCCJE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds1

About 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one

14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one (PubChem CID 71112073) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one.

Molecular Properties

Compound Name14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
PubChem CID71112073
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
SMILESO=c1c2ccc(-c3ccccn3)cc2nc2n1CC1COCC1CC2
InChIInChI=1S/C20H19N3O2/c24-20-16-6-4-13(17-3-1-2-8-21-17)9-18(16)22-19-7-5-14-11-25-12-15(14)10-23(19)20/h1-4,6,8-9,14-15H,5,7,10-12H2
InChIKeyIOLURBDIAQCCJE-UHFFFAOYSA-N
XLogP2.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one with MolForge

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Related Compounds

8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
6-pyridin-2-yl-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,9-tetraen-2-one
CID 71112031
8-hydroxy-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 58574163
2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
CID 70644787
8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
1,8-dimethyl-3-pyridin-2-yl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 71112249
8-methyl-3-[(E)-2-pyridin-2-ylethenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574762
13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112349
8,8-difluoro-9-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 89285290
12-methyl-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112238
3-cyclobutyl-8-pyridin-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 56644753
8-fluoro-3-(2-pyridin-2-ylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;8-hydroxy-3-(2-pyridin-2-ylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;7-methyl-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one;(3S,7R)-15-(2-pyridin-2-ylethynyl)-5-oxa-10,18-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-11-one;6-(2-pyridin-2-ylethynyl)-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one;6-(2-pyridin-2-ylethynyl)-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,9-tetraen-2-one
CID 162066580

Frequently Asked Questions

What is the IUPAC name of 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one?
The IUPAC name of 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one (CID 71112073) is 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one.
What is the SMILES notation for 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one?
The canonical SMILES for 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one is O=c1c2ccc(-c3ccccn3)cc2nc2n1CC1COCC1CC2.
What is the InChIKey of 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one?
The InChIKey is IOLURBDIAQCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20-16-6-4-13(17-3-1-2-8-21-17)9-18(16)22-19-7-5-14-11-25-12-15(14)10-23(19)20/h1-4,6,8-9,14-15H,5,7,10-12H2.
What are the key properties of 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one?
14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one has a molecular weight of 333.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one is sourced from PubChem (CID 71112073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).