24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione

C26H30ClN7O3 — CID 162649228

About 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione

24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione (PubChem CID 162649228) has the molecular formula C26H30ClN7O3 and a molecular weight of 524.03 g/mol. Its IUPAC name is 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione.

Molecular Properties

• Compound Name: 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
• PubChem CID: 162649228
• Molecular Formula: C26H30ClN7O3
• Molecular Weight: 524.03 g/mol
• Exact Mass: 523.21
• IUPAC Name: 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
• SMILES: CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(N4CCC4)cc1n3n2
• InChI: InChI=1S/C26H30ClN7O3/c1-31-12-8-28-24(35)16-37-21-7-6-17(27)13-18(21)26(36)33-11-3-2-5-20(33)19-14-23-29-22(32-9-4-10-32)15-25(31)34(23)30-19/h6-7,13-15,20H,2-5,8-12,16H2,1H3,(H,28,35)
• InChIKey: JMRARQYMVODNGG-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.03
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?

The IUPAC name of 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione (CID 162649228) is 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione.

What is the SMILES notation for 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?

The canonical SMILES for 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione is CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(N4CCC4)cc1n3n2.

What is the InChIKey of 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?

The InChIKey is JMRARQYMVODNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O3/c1-31-12-8-28-24(35)16-37-21-7-6-17(27)13-18(21)26(36)33-11-3-2-5-20(33)19-14-23-29-22(32-9-4-10-32)15-25(31)34(23)30-19/h6-7,13-15,20H,2-5,8-12,16H2,1H3,(H,28,35).

What are the key properties of 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?

24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione has a molecular weight of 524.03 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(azetidin-1-yl)-11-chloro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione is sourced from PubChem (CID 162649228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).