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

C24H33ClN6O2 — CID 70862194

IUPAC6-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
SMILESCN1CCCN(C)C(=O)CCCCCOc2cc(ccc2Cl)Nc2ncnc3c2C(CN3)C1
InChIInChI=1S/C24H33ClN6O2/c1-30-10-6-11-31(2)21(32)7-4-3-5-12-33-20-13-18(8-9-19(20)25)29-24-22-17(15-30)14-26-23(22)27-16-28-24/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyONZPGOCWQQBVQB-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.12
Rot. Bonds

About 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

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 (PubChem CID 70862194) has the molecular formula C24H33ClN6O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID70862194
Molecular FormulaC24H33ClN6O2
Molecular Weight473.02 g/mol
Exact Mass472.24
IUPAC Name6-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
SMILESCN1CCCN(C)C(=O)CCCCCOc2cc(ccc2Cl)Nc2ncnc3c2C(CN3)C1
InChIInChI=1S/C24H33ClN6O2/c1-30-10-6-11-31(2)21(32)7-4-3-5-12-33-20-13-18(8-9-19(20)25)29-24-22-17(15-30)14-26-23(22)27-16-28-24/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyONZPGOCWQQBVQB-UHFFFAOYSA-N
XLogP4.12
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
10,17-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
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
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
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCCN(C)C(=O)CCCCCOc2cc(ccc2Cl)Nc2ncnc3c2C(CN3)C1.
What is the InChIKey of 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?
The InChIKey is ONZPGOCWQQBVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN6O2/c1-30-10-6-11-31(2)21(32)7-4-3-5-12-33-20-13-18(8-9-19(20)25)29-24-22-17(15-30)14-26-23(22)27-16-28-24/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 473.02 g/mol, XLogP of 4.12, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70862194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).