13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione

C23H26N6O4 — CID 135098286

IUPAC13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione
SMILESCc1ccc2c(c1)C(=O)NCCCCNC(=O)c1cccn(c1=O)Cc1cn(nn1)CCO2
InChIInChI=1S/C23H26N6O4/c1-16-6-7-20-19(13-16)22(31)25-9-3-2-8-24-21(30)18-5-4-10-28(23(18)32)14-17-15-29(27-26-17)11-12-33-20/h4-7,10,13,15H,2-3,8-9,11-12,14H2,1H3,(H,24,30)(H,25,31)
InChIKeySWFGPPSFNNKCJB-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.13
Rot. Bonds

About 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione

13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione (PubChem CID 135098286) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione.

Molecular Properties

Compound Name13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione
PubChem CID135098286
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione
SMILESCc1ccc2c(c1)C(=O)NCCCCNC(=O)c1cccn(c1=O)Cc1cn(nn1)CCO2
InChIInChI=1S/C23H26N6O4/c1-16-6-7-20-19(13-16)22(31)25-9-3-2-8-24-21(30)18-5-4-10-28(23(18)32)14-17-15-29(27-26-17)11-12-33-20/h4-7,10,13,15H,2-3,8-9,11-12,14H2,1H3,(H,24,30)(H,25,31)
InChIKeySWFGPPSFNNKCJB-UHFFFAOYSA-N
XLogP1.13
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione 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

5-methoxy-19-methyl-3,23-dioxa-11,15,26,27,28-pentazatetracyclo[24.2.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,27-octaene-10,16-dione
CID 135097234
(13R,16R)-8,16-dimethyl-13-(2-methylsulfanylethyl)-4-oxa-1,12,15,18,21,22-hexazatricyclo[18.2.1.05,10]tricosa-5(10),6,8,20(23),21-pentaene-11,14,17-trione
CID 131890371
(21R,24S)-7,21-dimethyl-24-propan-2-yl-11-oxa-3,14,15,16,19,22,25-heptazatetracyclo[25.3.1.114,17.05,10]dotriaconta-1(31),5(10),6,8,15,17(32),27,29-octaene-4,20,23,26-tetrone
CID 131926135
(14R)-8,14-dimethyl-20-propyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135102283
(14R)-8,14-dimethyl-20-(2-phenylmethoxyacetyl)-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135090204
(14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135095187
(14R)-8,14-dimethyl-20-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135116348
(14R)-20-[2-(2-chloro-6-fluorophenyl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135115704
(14R)-8,14-dimethyl-20-[(5-methyl-1-propylpyrazol-4-yl)methyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135120563
(14R)-20-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135103335
(14R)-20-(2,8-dimethylquinoline-3-carbonyl)-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135118315
(14R)-8,14-dimethyl-20-[3-(trifluoromethyl)phenyl]sulfonyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
CID 135092593

Frequently Asked Questions

What is the IUPAC name of 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione?
The IUPAC name of 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione (CID 135098286) is 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione.
What is the SMILES notation for 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione?
The canonical SMILES for 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione is Cc1ccc2c(c1)C(=O)NCCCCNC(=O)c1cccn(c1=O)Cc1cn(nn1)CCO2.
What is the InChIKey of 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione?
The InChIKey is SWFGPPSFNNKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-16-6-7-20-19(13-16)22(31)25-9-3-2-8-24-21(30)18-5-4-10-28(23(18)32)14-17-15-29(27-26-17)11-12-33-20/h4-7,10,13,15H,2-3,8-9,11-12,14H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione?
13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione has a molecular weight of 450.50 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-9-oxa-1,4,5,6,17,22-hexazatetracyclo[22.3.1.13,6.010,15]nonacosa-3(29),4,10(15),11,13,24,26-heptaene-16,23,28-trione is sourced from PubChem (CID 135098286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).