14-cyclopentyl-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

C20H21N3O4 — CID 71754636

IUPAC14-cyclopentyl-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]n2C1CCCC1
InChIInChI=1S/C20H21N3O4/c1-9(2)13-14-19(23(22-20(14)26)10-5-3-4-6-10)21-15-11-7-8-12(24)16(25)17(11)27-18(13)15/h7-10,21,25H,3-6H2,1-2H3,(H,22,26)
InChIKeySYKKDMSGJNAKJO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.86
Rot. Bonds2

About 14-cyclopentyl-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-cyclopentyl-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 71754636) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 14-cyclopentyl-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-cyclopentyl-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 CID71754636
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name14-cyclopentyl-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]n2C1CCCC1
InChIInChI=1S/C20H21N3O4/c1-9(2)13-14-19(23(22-20(14)26)10-5-3-4-6-10)21-15-11-7-8-12(24)16(25)17(11)27-18(13)15/h7-10,21,25H,3-6H2,1-2H3,(H,22,26)
InChIKeySYKKDMSGJNAKJO-UHFFFAOYSA-N
XLogP3.86
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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 71754636) is 14-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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]n2C1CCCC1.
What is the InChIKey of 14-cyclopentyl-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 SYKKDMSGJNAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-9(2)13-14-19(23(22-20(14)26)10-5-3-4-6-10)21-15-11-7-8-12(24)16(25)17(11)27-18(13)15/h7-10,21,25H,3-6H2,1-2H3,(H,22,26).
What are the key properties of 14-cyclopentyl-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-cyclopentyl-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 367.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-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 71754636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).