6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one

C21H25ClN6O2 — CID 59442372

IUPAC6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2Cl)Nc2ncnc3c2c(cn3C)C1
InChIInChI=1S/C21H25ClN6O2/c1-26-7-4-8-27(2)18(29)12-30-17-9-15(5-6-16(17)22)25-20-19-14(10-26)11-28(3)21(19)24-13-23-20/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3,(H,23,24,25)
InChIKeyJGJXGRRIUQRATP-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.04
Rot. Bonds

About 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one

6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one (PubChem CID 59442372) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one.

Molecular Properties

Compound Name6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
PubChem CID59442372
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2Cl)Nc2ncnc3c2c(cn3C)C1
InChIInChI=1S/C21H25ClN6O2/c1-26-7-4-8-27(2)18(29)12-30-17-9-15(5-6-16(17)22)25-20-19-14(10-26)11-28(3)21(19)24-13-23-20/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3,(H,23,24,25)
InChIKeyJGJXGRRIUQRATP-UHFFFAOYSA-N
XLogP3.04
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one with MolForge

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Related Compounds

6-(2-hydroxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442293
6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
CID 143753421
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
11-cyclohexyl-6-methoxy-15-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442391
N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide
CID 146048147
6-[2-(4-methoxyphenoxy)ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,20(24),21-hexaen-10-one
CID 70862245
13,16-dimethyl-8-oxa-2,13,16,20,22,24-hexazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(24),3(26),4,6,18,21(25),22-heptaen-12-one
CID 59442241
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
11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione
CID 59442168
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
5,6-dimethoxy-9,12-dimethyl-2,9,12,18,20,22-hexazatetracyclo[14.6.1.13,7.019,23]tetracosa-1(22),3(24),4,6,16,19(23),20-heptaen-11-one
CID 59442238
(12R)-12-(hydroxymethyl)-6-methoxy-14-methyl-8-oxa-2,11,14,20,22,24-hexazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(24),3(26),4,6,18,21(25),22-heptaen-10-one
CID 71053657

Frequently Asked Questions

What is the IUPAC name of 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The IUPAC name of 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one (CID 59442372) is 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one.
What is the SMILES notation for 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The canonical SMILES for 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one is CN1CCCN(C)C(=O)COc2cc(ccc2Cl)Nc2ncnc3c2c(cn3C)C1.
What is the InChIKey of 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The InChIKey is JGJXGRRIUQRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-26-7-4-8-27(2)18(29)12-30-17-9-15(5-6-16(17)22)25-20-19-14(10-26)11-28(3)21(19)24-13-23-20/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3,(H,23,24,25).
What are the key properties of 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one has a molecular weight of 428.92 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one is sourced from PubChem (CID 59442372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).