1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

C18H19NO3 — CID 1382208

IUPAC1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCOc1ccccc1-n1ccc(=O)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H19NO3/c1-18(2)10-13-17(15(21)11-18)14(20)8-9-19(13)12-6-4-5-7-16(12)22-3/h4-9H,10-11H2,1-3H3
InChIKeyJCEBSOZUXSQYBV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.00
Rot. Bonds2

About 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (PubChem CID 1382208) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
PubChem CID1382208
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCOc1ccccc1-n1ccc(=O)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H19NO3/c1-18(2)10-13-17(15(21)11-18)14(20)8-9-19(13)12-6-4-5-7-16(12)22-3/h4-9H,10-11H2,1-3H3
InChIKeyJCEBSOZUXSQYBV-UHFFFAOYSA-N
XLogP3.00
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The IUPAC name of 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (CID 1382208) is 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is COc1ccccc1-n1ccc(=O)c2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The InChIKey is JCEBSOZUXSQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2)10-13-17(15(21)11-18)14(20)8-9-19(13)12-6-4-5-7-16(12)22-3/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione has a molecular weight of 297.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is sourced from PubChem (CID 1382208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).