14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C21H23N3O4 — CID 71754656

IUPAC14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCCC1
InChIInChI=1S/C21H23N3O4/c1-10(2)14-15-20(24(23-21(15)27)11-6-4-3-5-7-11)22-16-12-8-9-13(25)17(26)18(12)28-19(14)16/h8-11,22,26H,3-7H2,1-2H3,(H,23,27)
InChIKeyHDMGGQABABQXRT-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.25
Rot. Bonds2

About 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71754656) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71754656
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCCC1
InChIInChI=1S/C21H23N3O4/c1-10(2)14-15-20(24(23-21(15)27)11-6-4-3-5-7-11)22-16-12-8-9-13(25)17(26)18(12)28-19(14)16/h8-11,22,26H,3-7H2,1-2H3,(H,23,27)
InChIKeyHDMGGQABABQXRT-UHFFFAOYSA-N
XLogP4.25
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71754656) is 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is CC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCCC1.
What is the InChIKey of 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is HDMGGQABABQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-10(2)14-15-20(24(23-21(15)27)11-6-4-3-5-7-11)22-16-12-8-9-13(25)17(26)18(12)28-19(14)16/h8-11,22,26H,3-7H2,1-2H3,(H,23,27).
What are the key properties of 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 381.43 g/mol, XLogP of 4.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-6-hydroxy-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71754656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).