1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione

C20H18N4O3 — CID 134814169

IUPAC1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
SMILESCC1C(=O)NC(=O)N(C)C1c1ccc(Oc2nccc3cccnc23)cc1
InChIInChI=1S/C20H18N4O3/c1-12-17(24(2)20(26)23-18(12)25)14-5-7-15(8-6-14)27-19-16-13(9-11-22-19)4-3-10-21-16/h3-12,17H,1-2H3,(H,23,25,26)
InChIKeyHWUHMGQXBWLUBK-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.28
Rot. Bonds3

About 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione

1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 134814169) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
PubChem CID134814169
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
SMILESCC1C(=O)NC(=O)N(C)C1c1ccc(Oc2nccc3cccnc23)cc1
InChIInChI=1S/C20H18N4O3/c1-12-17(24(2)20(26)23-18(12)25)14-5-7-15(8-6-14)27-19-16-13(9-11-22-19)4-3-10-21-16/h3-12,17H,1-2H3,(H,23,25,26)
InChIKeyHWUHMGQXBWLUBK-UHFFFAOYSA-N
XLogP3.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione (CID 134814169) is 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione is CC1C(=O)NC(=O)N(C)C1c1ccc(Oc2nccc3cccnc23)cc1.
What is the InChIKey of 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is HWUHMGQXBWLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-17(24(2)20(26)23-18(12)25)14-5-7-15(8-6-14)27-19-16-13(9-11-22-19)4-3-10-21-16/h3-12,17H,1-2H3,(H,23,25,26).
What are the key properties of 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134814169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).