1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C21H19NO2 — CID 657502

IUPAC1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C21H19NO2/c23-19-13-7-12-18-21(19)17(15-8-3-1-4-9-15)14-20(24)22(18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyOSBAJDNOTYNOIB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.21
Rot. Bonds2

About 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 657502) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID657502
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C21H19NO2/c23-19-13-7-12-18-21(19)17(15-8-3-1-4-9-15)14-20(24)22(18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyOSBAJDNOTYNOIB-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 657502) is 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccccc1.
What is the InChIKey of 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is OSBAJDNOTYNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-19-13-7-12-18-21(19)17(15-8-3-1-4-9-15)14-20(24)22(18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).