15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene

C22H19NO — CID 170679013

IUPAC15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
SMILESCc1cccc(-c2nccc3c2oc2cc4c(cc23)CCCC4)c1
InChIInChI=1S/C22H19NO/c1-14-5-4-8-17(11-14)21-22-18(9-10-23-21)19-12-15-6-2-3-7-16(15)13-20(19)24-22/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyQGYCHWVQLKVVLR-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.84
Rot. Bonds1

About 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene

15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene (PubChem CID 170679013) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.

Molecular Properties

Compound Name15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
PubChem CID170679013
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
SMILESCc1cccc(-c2nccc3c2oc2cc4c(cc23)CCCC4)c1
InChIInChI=1S/C22H19NO/c1-14-5-4-8-17(11-14)21-22-18(9-10-23-21)19-12-15-6-2-3-7-16(15)13-20(19)24-22/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyQGYCHWVQLKVVLR-UHFFFAOYSA-N
XLogP5.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene with MolForge

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Related Compounds

2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 176749058
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7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran
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1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811588
4-(3-methylphenyl)quinoline
CID 146587179
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 118245530
7-(3-methylphenyl)-2,8-phenanthroline
CID 168852625
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990

Frequently Asked Questions

What is the IUPAC name of 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The IUPAC name of 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene (CID 170679013) is 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.
What is the SMILES notation for 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The canonical SMILES for 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene is Cc1cccc(-c2nccc3c2oc2cc4c(cc23)CCCC4)c1.
What is the InChIKey of 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The InChIKey is QGYCHWVQLKVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-14-5-4-8-17(11-14)21-22-18(9-10-23-21)19-12-15-6-2-3-7-16(15)13-20(19)24-22/h4-5,8-13H,2-3,6-7H2,1H3.
What are the key properties of 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene has a molecular weight of 313.40 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene is sourced from PubChem (CID 170679013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).