8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene

C23H17NO2 — CID 162691750

IUPAC8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene
SMILESc1c2c(nc3c1Cc1ccc4c(c1-3)CCO4)-c1c(ccc3c1CCO3)C2
InChIInChI=1S/C23H17NO2/c1-3-18-16(5-7-25-18)20-12(1)9-14-11-15-10-13-2-4-19-17(6-8-26-19)21(13)23(15)24-22(14)20/h1-4,11H,5-10H2
InChIKeyMGOQQKANKVIRFY-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.09
Rot. Bonds

About 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene

8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene (PubChem CID 162691750) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene.

Molecular Properties

Compound Name8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene
PubChem CID162691750
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene
SMILESc1c2c(nc3c1Cc1ccc4c(c1-3)CCO4)-c1c(ccc3c1CCO3)C2
InChIInChI=1S/C23H17NO2/c1-3-18-16(5-7-25-18)20-12(1)9-14-11-15-10-13-2-4-19-17(6-8-26-19)21(13)23(15)24-22(14)20/h1-4,11H,5-10H2
InChIKeyMGOQQKANKVIRFY-UHFFFAOYSA-N
XLogP4.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene 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

(2E)-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)acetonitrile
CID 11830381
(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran
CID 58409727
2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
CID 53239082
4,5-diphenyl-2,3-dihydro-1-benzofuran
CID 154231459
(7E)-7-(thiophen-3-ylmethylidene)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-one
CID 53238637
(2E)-N-methyl-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethanamine
CID 71141513
6,17,42,53-tetraoxa-25,32,39-triazanonacyclo[20.19.12.224,27.237,40.130,34.05,41.018,23.026,31.033,38]octapentaconta-1(41),2,4,18,20,22,24,26,30(56),31,33,37,39,54,57-pentadecaene
CID 57380588
7,8-dihydro-1H-furo[2,3-g]indazole
CID 21196798
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53237946
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174444

Frequently Asked Questions

What is the IUPAC name of 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene?
The IUPAC name of 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene (CID 162691750) is 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene.
What is the SMILES notation for 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene?
The canonical SMILES for 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene is c1c2c(nc3c1Cc1ccc4c(c1-3)CCO4)-c1c(ccc3c1CCO3)C2.
What is the InChIKey of 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene?
The InChIKey is MGOQQKANKVIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-3-18-16(5-7-25-18)20-12(1)9-14-11-15-10-13-2-4-19-17(6-8-26-19)21(13)23(15)24-22(14)20/h1-4,11H,5-10H2.
What are the key properties of 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene?
8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene has a molecular weight of 339.39 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene is sourced from PubChem (CID 162691750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).