11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

C18H20N4O3 — CID 170666558

IUPAC11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccncc1
InChIInChI=1S/C18H20N4O3/c1-18(12-5-9-19-10-6-12)8-3-4-14-20(2)17(25)15-16(24)13(23)7-11-21(15)22(14)18/h5-7,9-11,14,24H,3-4,8H2,1-2H3
InChIKeyFDJDMLNWHIBKCV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.40
Rot. Bonds1

About 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (PubChem CID 170666558) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
PubChem CID170666558
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccncc1
InChIInChI=1S/C18H20N4O3/c1-18(12-5-9-19-10-6-12)8-3-4-14-20(2)17(25)15-16(24)13(23)7-11-21(15)22(14)18/h5-7,9-11,14,24H,3-4,8H2,1-2H3
InChIKeyFDJDMLNWHIBKCV-UHFFFAOYSA-N
XLogP1.40
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (CID 170666558) is 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is CN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccncc1.
What is the InChIKey of 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The InChIKey is FDJDMLNWHIBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(12-5-9-19-10-6-12)8-3-4-14-20(2)17(25)15-16(24)13(23)7-11-21(15)22(14)18/h5-7,9-11,14,24H,3-4,8H2,1-2H3.
What are the key properties of 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione has a molecular weight of 340.38 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-3,8-dimethyl-3-pyridin-4-yl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 170666558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).