4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C22H21NO3 — CID 3738436

IUPAC4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C22H21NO3/c1-26-17-12-10-15(11-13-17)18-14-21(25)23(16-6-3-2-4-7-16)19-8-5-9-20(24)22(18)19/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3
InChIKeyOJUSJFHTKNRQGR-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.22
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 3738436) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID3738436
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C22H21NO3/c1-26-17-12-10-15(11-13-17)18-14-21(25)23(16-6-3-2-4-7-16)19-8-5-9-20(24)22(18)19/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3
InChIKeyOJUSJFHTKNRQGR-UHFFFAOYSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 3738436) is 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1ccc(C2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is OJUSJFHTKNRQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-26-17-12-10-15(11-13-17)18-14-21(25)23(16-6-3-2-4-7-16)19-8-5-9-20(24)22(18)19/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 347.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 3738436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).