14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one

C17H15NO2 — CID 135058613

IUPAC14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
SMILESCc1cc(C)c2c3c1OCC(=O)N3Cc1ccccc1-2
InChIInChI=1S/C17H15NO2/c1-10-7-11(2)17-16-15(10)13-6-4-3-5-12(13)8-18(16)14(19)9-20-17/h3-7H,8-9H2,1-2H3
InChIKeyQYXKFAUJUBQRTE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.21
Rot. Bonds

About 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one

14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one (PubChem CID 135058613) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one.

Molecular Properties

Compound Name14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
PubChem CID135058613
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
SMILESCc1cc(C)c2c3c1OCC(=O)N3Cc1ccccc1-2
InChIInChI=1S/C17H15NO2/c1-10-7-11(2)17-16-15(10)13-6-4-3-5-12(13)8-18(16)14(19)9-20-17/h3-7H,8-9H2,1-2H3
InChIKeyQYXKFAUJUBQRTE-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one with MolForge

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Related Compounds

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CID 155801433
11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
CID 135009590
2-(4-methylphenyl)-3H-isoindol-1-one
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1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one
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4-(3,5-difluorophenyl)-5H-1,4-benzoxazepin-3-one
CID 53335526
7-methyl-7,10-diazatetracyclo[8.7.1.05,18.012,17]octadeca-1(18),2,4,12,14,16-hexaene-6,9-dione
CID 101264986
4-[4-(dimethylamino)phenyl]-5H-1,4-benzoxazepin-3-one
CID 53152481
9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
CID 66552597
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-[4-(2-methylphenyl)-2-pyridinyl]-3H-isoindol-1-one
CID 167421227
3-methyl-6H-benzo[c]chromen-1-ol
CID 102026235
3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one
CID 132933509

Frequently Asked Questions

What is the IUPAC name of 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The IUPAC name of 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one (CID 135058613) is 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one.
What is the SMILES notation for 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The canonical SMILES for 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one is Cc1cc(C)c2c3c1OCC(=O)N3Cc1ccccc1-2.
What is the InChIKey of 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The InChIKey is QYXKFAUJUBQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-7-11(2)17-16-15(10)13-6-4-3-5-12(13)8-18(16)14(19)9-20-17/h3-7H,8-9H2,1-2H3.
What are the key properties of 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one has a molecular weight of 265.31 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one is sourced from PubChem (CID 135058613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).