13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C18H9NO — CID 171732680

IUPAC13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1cc2c3c(c1)c1cccc4c5cccc(c5n3c14)O2
InChIInChI=1S/C18H9NO/c1-4-10-12-6-2-8-14-17(12)19-16(10)11(5-1)13-7-3-9-15(20-14)18(13)19/h1-9H
InChIKeyNDXXEDGYWBOQKG-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.94
Rot. Bonds

About 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 171732680) has the molecular formula C18H9NO and a molecular weight of 255.28 g/mol. Its IUPAC name is 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID171732680
Molecular FormulaC18H9NO
Molecular Weight255.28 g/mol
Exact Mass255.07
IUPAC Name13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1cc2c3c(c1)c1cccc4c5cccc(c5n3c14)O2
InChIInChI=1S/C18H9NO/c1-4-10-12-6-2-8-14-17(12)19-16(10)11(5-1)13-7-3-9-15(20-14)18(13)19/h1-9H
InChIKeyNDXXEDGYWBOQKG-UHFFFAOYSA-N
XLogP4.94
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 171732680) is 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1cc2c3c(c1)c1cccc4c5cccc(c5n3c14)O2.
What is the InChIKey of 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is NDXXEDGYWBOQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9NO/c1-4-10-12-6-2-8-14-17(12)19-16(10)11(5-1)13-7-3-9-15(20-14)18(13)19/h1-9H.
What are the key properties of 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 255.28 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 171732680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).