14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C19H19N3O3 — CID 71710146

IUPAC14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(c1)oc1cc3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C19H19N3O3/c23-12-7-8-13-15(9-12)25-16-10-14-18(20-17(13)16)22(21-19(14)24)11-5-3-1-2-4-6-11/h7-11,20H,1-6H2,(H,21,24)
InChIKeySZISRDCTZXFABC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.81
Rot. Bonds1

About 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71710146) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71710146
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(c1)oc1cc3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C19H19N3O3/c23-12-7-8-13-15(9-12)25-16-10-14-18(20-17(13)16)22(21-19(14)24)11-5-3-1-2-4-6-11/h7-11,20H,1-6H2,(H,21,24)
InChIKeySZISRDCTZXFABC-UHFFFAOYSA-N
XLogP3.81
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Related Compounds

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CID 71701989
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CID 71702343
1-cycloheptyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702441
1-cyclopentyl-7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702653
1-cyclopentyl-7-hydroxy-4-isobutyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703265
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CID 71703436
1-cyclooctyl-6,7-dihydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703847
1-cycloheptyl-7-hydroxy-4-isopropyl-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71704911
1-cyclohexyl-6,7-dihydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
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Frequently Asked Questions

What is the IUPAC name of 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71710146) is 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(c1)oc1cc3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12.
What is the InChIKey of 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is SZISRDCTZXFABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-12-7-8-13-15(9-12)25-16-10-14-18(20-17(13)16)22(21-19(14)24)11-5-3-1-2-4-6-11/h7-11,20H,1-6H2,(H,21,24).
What are the key properties of 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 337.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cycloheptyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71710146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).