11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene

C16H16ClNO — CID 106470978

IUPAC11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
SMILESClc1c2c(nc3c4c(ccc13)CCCC4)CCOC2
InChIInChI=1S/C16H16ClNO/c17-15-12-6-5-10-3-1-2-4-11(10)16(12)18-14-7-8-19-9-13(14)15/h5-6H,1-4,7-9H2
InChIKeyJGMMURVRGUBXOA-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.84
Rot. Bonds

About 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene

11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene (PubChem CID 106470978) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene.

Molecular Properties

Compound Name11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
PubChem CID106470978
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
SMILESClc1c2c(nc3c4c(ccc13)CCCC4)CCOC2
InChIInChI=1S/C16H16ClNO/c17-15-12-6-5-10-3-1-2-4-11(10)16(12)18-14-7-8-19-9-13(14)15/h5-6H,1-4,7-9H2
InChIKeyJGMMURVRGUBXOA-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene with MolForge

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Related Compounds

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6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
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8,10-dichloro-7-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471040
4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
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Frequently Asked Questions

What is the IUPAC name of 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene?
The IUPAC name of 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene (CID 106470978) is 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene.
What is the SMILES notation for 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene?
The canonical SMILES for 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene is Clc1c2c(nc3c4c(ccc13)CCCC4)CCOC2.
What is the InChIKey of 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene?
The InChIKey is JGMMURVRGUBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-12-6-5-10-3-1-2-4-11(10)16(12)18-14-7-8-19-9-13(14)15/h5-6H,1-4,7-9H2.
What are the key properties of 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene?
11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene has a molecular weight of 273.76 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene is sourced from PubChem (CID 106470978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).