5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

C18H13NO2 — CID 15507696

IUPAC5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
SMILESc1ccc2c3c(cnc2c1)CCc1cc2c(cc1-3)OCO2
InChIInChI=1S/C18H13NO2/c1-2-4-15-13(3-1)18-12(9-19-15)6-5-11-7-16-17(8-14(11)18)21-10-20-16/h1-4,7-9H,5-6,10H2
InChIKeyGACGRRXJWSWUNI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.73
Rot. Bonds

About 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene (PubChem CID 15507696) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene.

Molecular Properties

Compound Name5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
PubChem CID15507696
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
SMILESc1ccc2c3c(cnc2c1)CCc1cc2c(cc1-3)OCO2
InChIInChI=1S/C18H13NO2/c1-2-4-15-13(3-1)18-12(9-19-15)6-5-11-7-16-17(8-14(11)18)21-10-20-16/h1-4,7-9H,5-6,10H2
InChIKeyGACGRRXJWSWUNI-UHFFFAOYSA-N
XLogP3.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene with MolForge

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

Launch Full Analysis

Related Compounds

9-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 177485700
6H-chromeno[3,4-c]quinoline
CID 91575898
[1,3]dioxolo[4,5-c]quinoline
CID 45117306
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
CID 134841525
5,7-dioxa-11,12,21-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene
CID 86211261
21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaene
CID 138971951
phenanthridine
CID 9189
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 10954648
2-(1,3-benzodioxol-5-yl)-3-bromo-4-phenylquinoline
CID 2465752
2-(6-bromo-1,3-benzodioxol-5-yl)-3,1-benzoxazin-4-one
CID 155933599

Frequently Asked Questions

What is the IUPAC name of 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The IUPAC name of 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene (CID 15507696) is 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene.
What is the SMILES notation for 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The canonical SMILES for 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene is c1ccc2c3c(cnc2c1)CCc1cc2c(cc1-3)OCO2.
What is the InChIKey of 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The InChIKey is GACGRRXJWSWUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-2-4-15-13(3-1)18-12(9-19-15)6-5-11-7-16-17(8-14(11)18)21-10-20-16/h1-4,7-9H,5-6,10H2.
What are the key properties of 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene has a molecular weight of 275.31 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene is sourced from PubChem (CID 15507696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).