2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene

C25H23NO — CID 59572838

IUPAC2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
SMILESCc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(C)c1
InChIInChI=1S/C25H23NO/c1-17-14-15-22(18(2)16-17)26-23-12-5-3-8-19(23)9-7-11-21-20-10-4-6-13-24(20)27-25(21)26/h3-6,8,10,12-16H,7,9,11H2,1-2H3
InChIKeyDYOMMXPEAPLVGY-UHFFFAOYSA-N
MW353.47 g/mol
LogP7.01
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene

2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene (PubChem CID 59572838) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
PubChem CID59572838
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
SMILESCc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(C)c1
InChIInChI=1S/C25H23NO/c1-17-14-15-22(18(2)16-17)26-23-12-5-3-8-19(23)9-7-11-21-20-10-4-6-13-24(20)27-25(21)26/h3-6,8,10,12-16H,7,9,11H2,1-2H3
InChIKeyDYOMMXPEAPLVGY-UHFFFAOYSA-N
XLogP7.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
CID 59573086
6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59573295
2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol
CID 70829328
6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572702
2-(4-tert-butyl-2,6-dimethylphenyl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59573591
5-methyl-2-(2-methylphenyl)-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene
CID 59573739
2-methyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572686
2,9-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide
CID 59573731
3-methyl-11-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572810
2,9-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide
CID 59572951
6-(2-methoxyphenyl)-2,9-dimethyl-11H-[1]benzofuro[2,3-b]quinoline
CID 59573545
5-(2,4,6-trimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573379

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The IUPAC name of 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene (CID 59572838) is 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The canonical SMILES for 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene is Cc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The InChIKey is DYOMMXPEAPLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-17-14-15-22(18(2)16-17)26-23-12-5-3-8-19(23)9-7-11-21-20-10-4-6-13-24(20)27-25(21)26/h3-6,8,10,12-16H,7,9,11H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene has a molecular weight of 353.47 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene is sourced from PubChem (CID 59572838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).