4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione

C18H19NO3 — CID 54708943

IUPAC4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione
SMILESCn1c2c(c(O)c(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C18H19NO3/c1-18(2)9-12-15(13(20)10-18)16(21)14(17(22)19(12)3)11-7-5-4-6-8-11/h4-8,21H,9-10H2,1-3H3
InChIKeyXGZJDFCICPHTEN-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.91
Rot. Bonds1

About 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione

4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione (PubChem CID 54708943) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione
PubChem CID54708943
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione
SMILESCn1c2c(c(O)c(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C18H19NO3/c1-18(2)9-12-15(13(20)10-18)16(21)14(17(22)19(12)3)11-7-5-4-6-8-11/h4-8,21H,9-10H2,1-3H3
InChIKeyXGZJDFCICPHTEN-UHFFFAOYSA-N
XLogP2.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione (CID 54708943) is 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione is Cn1c2c(c(O)c(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2.
What is the InChIKey of 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione?
The InChIKey is XGZJDFCICPHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2)9-12-15(13(20)10-18)16(21)14(17(22)19(12)3)11-7-5-4-6-8-11/h4-8,21H,9-10H2,1-3H3.
What are the key properties of 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione?
4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione has a molecular weight of 297.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,7,7-trimethyl-3-phenyl-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 54708943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).