25-hydroxy-7-methoxy-14-propan-2-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

C24H30N6O4 — CID 135903191

IUPAC25-hydroxy-7-methoxy-14-propan-2-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
SMILESCOc1ccc2cc1OCCCC(=O)N(C(C)C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2
InChIInChI=1S/C24H30N6O4/c1-15(2)30-10-5-9-25-22-21-17(24(32)29-23(21)28-14-27-22)13-26-16-7-8-18(33-3)19(12-16)34-11-4-6-20(30)31/h7-8,12-15,32H,4-6,9-11H2,1-3H3,(H2,25,27,28,29)/b26-13-
InChIKeyPPYORDGUINTKJP-ZMFRSBBQSA-N
MW466.54 g/mol
LogP3.63
Rot. Bonds2

About 25-hydroxy-7-methoxy-14-propan-2-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-7-methoxy-14-propan-2-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 (PubChem CID 135903191) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 25-hydroxy-7-methoxy-14-propan-2-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.

Molecular Properties

Compound Name25-hydroxy-7-methoxy-14-propan-2-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
PubChem CID135903191
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name25-hydroxy-7-methoxy-14-propan-2-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
SMILESCOc1ccc2cc1OCCCC(=O)N(C(C)C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2
InChIInChI=1S/C24H30N6O4/c1-15(2)30-10-5-9-25-22-21-17(24(32)29-23(21)28-14-27-22)13-26-16-7-8-18(33-3)19(12-16)34-11-4-6-20(30)31/h7-8,12-15,32H,4-6,9-11H2,1-3H3,(H2,25,27,28,29)/b26-13-
InChIKeyPPYORDGUINTKJP-ZMFRSBBQSA-N
XLogP3.63
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 25-hydroxy-7-methoxy-14-propan-2-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 with MolForge

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Related Compounds

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
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
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
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
1,7-dimethoxyisoquinoline-6-carboxamide;ethane;1-propan-2-ylpyrrolidin-2-one
CID 142615854
24-chloro-12-methoxy-21-methyl-14-oxa-2,4,6,8,21-pentazatetracyclo[21.3.1.13,7.19,13]nonacosa-1(27),3(29),4,6,9(28),10,12,23,25-nonaen-18-one
CID 159145103
7,8-dimethoxy-5-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83002003
1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530470
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
(12R)-22-methoxy-12-propan-2-yl-16-(pyridine-2-carbonyl)-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157017326
24-chloro-12-methoxy-21-methyl-14-oxa-2,4,6,8,17,21-hexazatetracyclo[21.3.1.13,7.19,13]nonacosa-1(27),3(29),4,6,9(28),10,12,23,25-nonaen-18-one
CID 11670241

Frequently Asked Questions

What is the IUPAC name of 25-hydroxy-7-methoxy-14-propan-2-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?
The IUPAC name of 25-hydroxy-7-methoxy-14-propan-2-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 (CID 135903191) is 25-hydroxy-7-methoxy-14-propan-2-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.
What is the SMILES notation for 25-hydroxy-7-methoxy-14-propan-2-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?
The canonical SMILES for 25-hydroxy-7-methoxy-14-propan-2-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 is COc1ccc2cc1OCCCC(=O)N(C(C)C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2.
What is the InChIKey of 25-hydroxy-7-methoxy-14-propan-2-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?
The InChIKey is PPYORDGUINTKJP-ZMFRSBBQSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-15(2)30-10-5-9-25-22-21-17(24(32)29-23(21)28-14-27-22)13-26-16-7-8-18(33-3)19(12-16)34-11-4-6-20(30)31/h7-8,12-15,32H,4-6,9-11H2,1-3H3,(H2,25,27,28,29)/b26-13-.
What are the key properties of 25-hydroxy-7-methoxy-14-propan-2-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-7-methoxy-14-propan-2-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 has a molecular weight of 466.54 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25-hydroxy-7-methoxy-14-propan-2-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 is sourced from PubChem (CID 135903191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).