4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C16H17NO2 — CID 3162372

IUPAC4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C16H17NO2/c1-10-5-2-3-6-11(10)12-9-15(19)17-13-7-4-8-14(18)16(12)13/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,19)
InChIKeyJXBPEWAUFRWNFW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds1

About 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 3162372) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID3162372
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C16H17NO2/c1-10-5-2-3-6-11(10)12-9-15(19)17-13-7-4-8-14(18)16(12)13/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,19)
InChIKeyJXBPEWAUFRWNFW-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 3162372) is 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is Cc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is JXBPEWAUFRWNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-5-2-3-6-11(10)12-9-15(19)17-13-7-4-8-14(18)16(12)13/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,19).
What are the key properties of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 255.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 3162372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).