11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one

C24H31N7O4 — CID 136620941

IUPAC11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one
SMILESCc1ccc2cc1OCC(O)CN(C)CCC(=O)N(C)CCNc1ncnc3[nH]c(O)c(c13)/C=N\2
InChIInChI=1S/C24H31N7O4/c1-15-4-5-16-10-19(15)35-13-17(32)12-30(2)8-6-20(33)31(3)9-7-25-22-21-18(11-26-16)24(34)29-23(21)28-14-27-22/h4-5,10-11,14,17,32,34H,6-9,12-13H2,1-3H3,(H2,25,27,28,29)/b26-11-
InChIKeyJSRXXRBOAUJXDY-RAWMCFOBSA-N
MW481.56 g/mol
LogP1.67
Rot. Bonds

About 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one

11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one (PubChem CID 136620941) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one.

Molecular Properties

Compound Name11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one
PubChem CID136620941
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one
SMILESCc1ccc2cc1OCC(O)CN(C)CCC(=O)N(C)CCNc1ncnc3[nH]c(O)c(c13)/C=N\2
InChIInChI=1S/C24H31N7O4/c1-15-4-5-16-10-19(15)35-13-17(32)12-30(2)8-6-20(33)31(3)9-7-25-22-21-18(11-26-16)24(34)29-23(21)28-14-27-22/h4-5,10-11,14,17,32,34H,6-9,12-13H2,1-3H3,(H2,25,27,28,29)/b26-11-
InChIKeyJSRXXRBOAUJXDY-RAWMCFOBSA-N
XLogP1.67
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one with MolForge

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Related Compounds

25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
CID 135903147
26-hydroxy-9,15-dimethyl-7-(4-methylpiperazin-1-yl)-3,9,15,19,21,23,25-heptazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one
CID 135903148
25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
CID 158141837
10,15-dimethyl-3,10,15,18,20,22,24-heptazatetracyclo[17.6.1.14,8.023,26]heptacosa-2,4,6,8(27),19(26),20,22-heptaene-14,25-dione
CID 123914852
7-methoxy-10,18-dimethyl-3,10,18,22,24,26,28-heptazatetracyclo[21.6.1.14,8.027,30]hentriaconta-2,4(31),5,7,23(30),24,26-heptaene-17,29-dione
CID 123431044
10,15-dimethyl-7-(4-methylpiperazin-1-yl)-3,10,15,19,21,23,25-heptazatetracyclo[18.6.1.14,8.024,27]octacosa-2,4(28),5,7,20(27),21,23-heptaene-14,26-dione
CID 123354662
7-methoxy-10,17,21-trimethyl-3,10,17,21,23,25,27-heptazatetracyclo[20.6.1.14,8.026,29]triaconta-2,4(30),5,7,22,24,26(29)-heptaene-16,28-dione
CID 123179770
10,17-dimethyl-7-(4-methylpiperazin-1-yl)-3,10,17,21,23,25,27-heptazatetracyclo[20.6.1.14,8.026,29]triaconta-2,4(30),5,7,22(29),23,25-heptaene-16,28-dione
CID 123298992
6-chloro-15,19-dimethyl-8-oxa-2,15,19,23,25,27-hexazatetracyclo[19.6.1.13,7.024,28]nonacosa-1(27),3(29),4,6,24(28),25-hexaen-14-one
CID 70862194
(16R)-18-methyl-9-oxa-3,12,18,21,23,25,27-heptazapentacyclo[20.6.1.14,8.012,16.026,29]triaconta-2,4(30),5,7,22(29),23,25-heptaene-11,28-dione
CID 123438033
4-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669449
N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 64667795

Frequently Asked Questions

What is the IUPAC name of 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one?
The IUPAC name of 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one (CID 136620941) is 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one.
What is the SMILES notation for 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one?
The canonical SMILES for 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one is Cc1ccc2cc1OCC(O)CN(C)CCC(=O)N(C)CCNc1ncnc3[nH]c(O)c(c13)/C=N\2.
What is the InChIKey of 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one?
The InChIKey is JSRXXRBOAUJXDY-RAWMCFOBSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-15-4-5-16-10-19(15)35-13-17(32)12-30(2)8-6-20(33)31(3)9-7-25-22-21-18(11-26-16)24(34)29-23(21)28-14-27-22/h4-5,10-11,14,17,32,34H,6-9,12-13H2,1-3H3,(H2,25,27,28,29)/b26-11-.
What are the key properties of 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one?
11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one has a molecular weight of 481.56 g/mol, XLogP of 1.67, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11,27-dihydroxy-7,13,17-trimethyl-9-oxa-3,13,17,20,22,24,26-heptazatetracyclo[19.6.1.14,8.025,28]nonacosa-1(27),2,4(29),5,7,21,23,25(28)-octaen-16-one is sourced from PubChem (CID 136620941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).