6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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

C21H18N4O4 — CID 71701804

IUPAC6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C21H18N4O4/c1-9(2)25-19-15(21(28)24-25)14(11-5-4-8-22-20(11)27)18-16(23-19)12-6-7-13(26)10(3)17(12)29-18/h4-9,23H,1-3H3,(H,22,27)(H,24,28)
InChIKeyMHTYJRIFCVHZFZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.16
Rot. Bonds2

About 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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

6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 71701804) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 Name6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 CID71701804
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C21H18N4O4/c1-9(2)25-19-15(21(28)24-25)14(11-5-4-8-22-20(11)27)18-16(23-19)12-6-7-13(26)10(3)17(12)29-18/h4-9,23H,1-3H3,(H,22,27)(H,24,28)
InChIKeyMHTYJRIFCVHZFZ-UHFFFAOYSA-N
XLogP3.16
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 71701804) is 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 Cc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C(C)C)c3[nH]c12.
What is the InChIKey of 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 MHTYJRIFCVHZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-9(2)25-19-15(21(28)24-25)14(11-5-4-8-22-20(11)27)18-16(23-19)12-6-7-13(26)10(3)17(12)29-18/h4-9,23H,1-3H3,(H,22,27)(H,24,28).
What are the key properties of 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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?
6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 390.40 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-(2-oxo-1H-pyridin-3-yl)-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 71701804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).