4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene

C15H16N2O — CID 134946779

IUPAC4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESC=C1CCN2CCc3c([nH]c4ccccc34)C2O1
InChIInChI=1S/C15H16N2O/c1-10-6-8-17-9-7-12-11-4-2-3-5-13(11)16-14(12)15(17)18-10/h2-5,15-16H,1,6-9H2
InChIKeyCQZRXSMDWSUQRO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.96
Rot. Bonds

About 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene

4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene (PubChem CID 134946779) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene.

Molecular Properties

Compound Name4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
PubChem CID134946779
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESC=C1CCN2CCc3c([nH]c4ccccc34)C2O1
InChIInChI=1S/C15H16N2O/c1-10-6-8-17-9-7-12-11-4-2-3-5-13(11)16-14(12)15(17)18-10/h2-5,15-16H,1,6-9H2
InChIKeyCQZRXSMDWSUQRO-UHFFFAOYSA-N
XLogP2.96
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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2-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-2-ol
CID 10171643
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
(2S,3R,8S)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
CID 11872716
(1R,16S,21R)-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8-tetraen-20-one
CID 10125500
1-[(1R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]ethanone;ethane
CID 90962597
16-methyl-21-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
CID 122185179
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
(2S,3R)-5-methyl-3-phenyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 10381147
2-tert-butyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 118880821

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The IUPAC name of 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene (CID 134946779) is 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene.
What is the SMILES notation for 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The canonical SMILES for 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene is C=C1CCN2CCc3c([nH]c4ccccc34)C2O1.
What is the InChIKey of 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The InChIKey is CQZRXSMDWSUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-6-8-17-9-7-12-11-4-2-3-5-13(11)16-14(12)15(17)18-10/h2-5,15-16H,1,6-9H2.
What are the key properties of 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene?
4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene has a molecular weight of 240.31 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene is sourced from PubChem (CID 134946779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).