5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline

C21H19N5 — CID 139460775

IUPAC5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESC=CC1c2ccccc2N2c3cncnc3N(c3cccnc3)C2C1C
InChIInChI=1S/C21H19N5/c1-3-16-14(2)21-25(15-7-6-10-22-11-15)20-19(12-23-13-24-20)26(21)18-9-5-4-8-17(16)18/h3-14,16,21H,1H2,2H3
InChIKeyDPRJUIPKVBBFNO-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.41
Rot. Bonds2

About 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline

5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline (PubChem CID 139460775) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline.

Molecular Properties

Compound Name5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
PubChem CID139460775
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESC=CC1c2ccccc2N2c3cncnc3N(c3cccnc3)C2C1C
InChIInChI=1S/C21H19N5/c1-3-16-14(2)21-25(15-7-6-10-22-11-15)20-19(12-23-13-24-20)26(21)18-9-5-4-8-17(16)18/h3-14,16,21H,1H2,2H3
InChIKeyDPRJUIPKVBBFNO-UHFFFAOYSA-N
XLogP4.41
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-ethenyl-9-methyl-11-[2-(trifluoromethyl)phenyl]-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 129305014
5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline
CID 134492200
8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 129305002
15-tert-butyl-8-ethenyl-9-methyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 155034376
5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 138752470
8-ethenyl-9-methyl-11-thiophen-2-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 126760152
9-[2,6-di(propan-2-yl)phenyl]-5-ethenyl-6,7-dimethyl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 126497165
(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 166931997
8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
CID 146532702
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
3-methyl-17-methylidene-33-phenyl-3,6,8,10,26,33-hexazaoctacyclo[17.15.0.02,10.04,9.011,16.020,25.026,34.027,32]tetratriaconta-4,6,8,11,13,15,20,22,24,27,29,31-dodecaene
CID 138507493
8,9-diethyl-13-pyridin-4-yl-1,13,15,17-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
CID 123592363

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The IUPAC name of 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline (CID 139460775) is 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline.
What is the SMILES notation for 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The canonical SMILES for 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline is C=CC1c2ccccc2N2c3cncnc3N(c3cccnc3)C2C1C.
What is the InChIKey of 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The InChIKey is DPRJUIPKVBBFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-3-16-14(2)21-25(15-7-6-10-22-11-15)20-19(12-23-13-24-20)26(21)18-9-5-4-8-17(16)18/h3-14,16,21H,1H2,2H3.
What are the key properties of 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline has a molecular weight of 341.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline is sourced from PubChem (CID 139460775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).