17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene

C24H13NO — CID 162480456

IUPAC17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)ccc1c3cc4c5ccccc5oc4c4ccn(c21)c34
InChIInChI=1S/C24H13NO/c1-2-6-15-14(5-1)9-10-17-19-13-20-16-7-3-4-8-21(16)26-24(20)18-11-12-25(22(15)17)23(18)19/h1-13H
InChIKeyIEGKHKZFGJPVBB-UHFFFAOYSA-N
MW331.37 g/mol
LogP6.74
Rot. Bonds

About 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene

17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene (PubChem CID 162480456) has the molecular formula C24H13NO and a molecular weight of 331.37 g/mol. Its IUPAC name is 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene
PubChem CID162480456
Molecular FormulaC24H13NO
Molecular Weight331.37 g/mol
Exact Mass331.10
IUPAC Name17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)ccc1c3cc4c5ccccc5oc4c4ccn(c21)c34
InChIInChI=1S/C24H13NO/c1-2-6-15-14(5-1)9-10-17-19-13-20-16-7-3-4-8-21(16)26-24(20)18-11-12-25(22(15)17)23(18)19/h1-13H
InChIKeyIEGKHKZFGJPVBB-UHFFFAOYSA-N
XLogP6.74
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

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CID 90365819
13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene
CID 140956377
31-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.09,14.028,42.029,41.030,38.032,37.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16,18,20(43),21,24(42),25,27,29(41),30(38),32,34,36,39-icosaene
CID 162480140
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
32-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.07,12.028,42.029,41.031,39.033,38.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16(43),17,19,21,24(42),25,27,29(41),30,33,35,37,39-icosaene
CID 162480265
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
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CID 171595148
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CID 14690181
24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
CID 45276365
6-N,21-N-di(dibenzofuran-2-yl)-6-N,21-N-di(phenanthren-3-yl)-9-oxa-1-azaheptacyclo[13.10.1.02,10.03,8.011,26.016,25.019,24]hexacosa-2(10),3(8),4,6,11,13,15(26),16(25),17,19(24),20,22-dodecaene-6,21-diamine
CID 166048863
12-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166699577
12-chloro-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
CID 126656053

Frequently Asked Questions

What is the IUPAC name of 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene?
The IUPAC name of 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene (CID 162480456) is 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene is c1ccc2c(c1)ccc1c3cc4c5ccccc5oc4c4ccn(c21)c34.
What is the InChIKey of 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene?
The InChIKey is IEGKHKZFGJPVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO/c1-2-6-15-14(5-1)9-10-17-19-13-20-16-7-3-4-8-21(16)26-24(20)18-11-12-25(22(15)17)23(18)19/h1-13H.
What are the key properties of 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene?
17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene has a molecular weight of 331.37 g/mol, XLogP of 6.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 162480456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).