20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene

C18H21NO — CID 85329648

IUPAC20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
SMILESc1ccc2c3c(oc2c1)C1C2CCCCC2CN1CC3
InChIInChI=1S/C18H21NO/c1-2-6-13-12(5-1)11-19-10-9-15-14-7-3-4-8-16(14)20-18(15)17(13)19/h3-4,7-8,12-13,17H,1-2,5-6,9-11H2
InChIKeyNXKKVPLEHDRJKV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.15
Rot. Bonds

About 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene

20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene (PubChem CID 85329648) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene.

Molecular Properties

Compound Name20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
PubChem CID85329648
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
SMILESc1ccc2c3c(oc2c1)C1C2CCCCC2CN1CC3
InChIInChI=1S/C18H21NO/c1-2-6-13-12(5-1)11-19-10-9-15-14-7-3-4-8-16(14)20-18(15)17(13)19/h3-4,7-8,12-13,17H,1-2,5-6,9-11H2
InChIKeyNXKKVPLEHDRJKV-UHFFFAOYSA-N
XLogP4.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene?
The IUPAC name of 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene (CID 85329648) is 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene.
What is the SMILES notation for 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene?
The canonical SMILES for 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene is c1ccc2c3c(oc2c1)C1C2CCCCC2CN1CC3.
What is the InChIKey of 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene?
The InChIKey is NXKKVPLEHDRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-6-13-12(5-1)11-19-10-9-15-14-7-3-4-8-16(14)20-18(15)17(13)19/h3-4,7-8,12-13,17H,1-2,5-6,9-11H2.
What are the key properties of 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene?
20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene has a molecular weight of 267.37 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxa-10-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene is sourced from PubChem (CID 85329648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).