6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione

C22H21N3O3 — CID 134814168

IUPAC6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCc1cc(Oc2nccc3ccccc23)ccc1C1C(C)C(=O)NC(=O)N1C
InChIInChI=1S/C22H21N3O3/c1-13-12-16(28-21-18-7-5-4-6-15(18)10-11-23-21)8-9-17(13)19-14(2)20(26)24-22(27)25(19)3/h4-12,14,19H,1-3H3,(H,24,26,27)
InChIKeyDJDMEJNJZYRLPH-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.19
Rot. Bonds3

About 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione

6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 134814168) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione
PubChem CID134814168
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCc1cc(Oc2nccc3ccccc23)ccc1C1C(C)C(=O)NC(=O)N1C
InChIInChI=1S/C22H21N3O3/c1-13-12-16(28-21-18-7-5-4-6-15(18)10-11-23-21)8-9-17(13)19-14(2)20(26)24-22(27)25(19)3/h4-12,14,19H,1-3H3,(H,24,26,27)
InChIKeyDJDMEJNJZYRLPH-UHFFFAOYSA-N
XLogP4.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione (CID 134814168) is 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione is Cc1cc(Oc2nccc3ccccc23)ccc1C1C(C)C(=O)NC(=O)N1C.
What is the InChIKey of 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is DJDMEJNJZYRLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-12-16(28-21-18-7-5-4-6-15(18)10-11-23-21)8-9-17(13)19-14(2)20(26)24-22(27)25(19)3/h4-12,14,19H,1-3H3,(H,24,26,27).
What are the key properties of 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione?
6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134814168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).