10-(2-methylpropyl)-14-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

C19H21N3O3 — CID 71703436

IUPAC10-(2-methylpropyl)-14-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)Cc1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C19H21N3O3/c1-9(2)7-13-15-18(22(10(3)4)21-19(15)24)20-16-12-6-5-11(23)8-14(12)25-17(13)16/h5-6,8-10,20H,7H2,1-4H3,(H,21,24)
InChIKeyJYLAVTVLKNRDJZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.70
Rot. Bonds3

About 10-(2-methylpropyl)-14-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

10-(2-methylpropyl)-14-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 71703436) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 10-(2-methylpropyl)-14-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 Name10-(2-methylpropyl)-14-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 CID71703436
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name10-(2-methylpropyl)-14-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)Cc1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C19H21N3O3/c1-9(2)7-13-15-18(22(10(3)4)21-19(15)24)20-16-12-6-5-11(23)8-14(12)25-17(13)16/h5-6,8-10,20H,7H2,1-4H3,(H,21,24)
InChIKeyJYLAVTVLKNRDJZ-UHFFFAOYSA-N
XLogP3.70
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-(2-methylpropyl)-14-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 10-(2-methylpropyl)-14-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 10-(2-methylpropyl)-14-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 71703436) is 10-(2-methylpropyl)-14-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 10-(2-methylpropyl)-14-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 10-(2-methylpropyl)-14-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)Cc1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C.
What is the InChIKey of 10-(2-methylpropyl)-14-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 JYLAVTVLKNRDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-9(2)7-13-15-18(22(10(3)4)21-19(15)24)20-16-12-6-5-11(23)8-14(12)25-17(13)16/h5-6,8-10,20H,7H2,1-4H3,(H,21,24).
What are the key properties of 10-(2-methylpropyl)-14-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?
10-(2-methylpropyl)-14-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 339.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylpropyl)-14-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 71703436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).