3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

C19H21NO3 — CID 54708977

IUPAC3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCCCc1c(O)c2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C19H21NO3/c1-2-3-9-14-18(22)17-15(20-19(14)23)10-13(11-16(17)21)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,20,22,23)
InChIKeyIFRBGIPRJDKYMX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.34
Rot. Bonds4

About 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 54708977) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID54708977
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCCCc1c(O)c2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C19H21NO3/c1-2-3-9-14-18(22)17-15(20-19(14)23)10-13(11-16(17)21)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,20,22,23)
InChIKeyIFRBGIPRJDKYMX-UHFFFAOYSA-N
XLogP3.34
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 54708977) is 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is CCCCc1c(O)c2c([nH]c1=O)CC(c1ccccc1)CC2=O.
What is the InChIKey of 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is IFRBGIPRJDKYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-3-9-14-18(22)17-15(20-19(14)23)10-13(11-16(17)21)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,20,22,23).
What are the key properties of 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 311.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 54708977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).