4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione

C23H21NO3 — CID 54682900

IUPAC4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(O)c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C23H21NO3/c1-23(2)13-17-20(18(25)14-23)21(26)19(15-9-5-3-6-10-15)22(27)24(17)16-11-7-4-8-12-16/h3-12,26H,13-14H2,1-2H3
InChIKeyKRRMSSNFWTWVAT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.37
Rot. Bonds2

About 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione

4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione (PubChem CID 54682900) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione
PubChem CID54682900
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(O)c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C23H21NO3/c1-23(2)13-17-20(18(25)14-23)21(26)19(15-9-5-3-6-10-15)22(27)24(17)16-11-7-4-8-12-16/h3-12,26H,13-14H2,1-2H3
InChIKeyKRRMSSNFWTWVAT-UHFFFAOYSA-N
XLogP4.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione (CID 54682900) is 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione is CC1(C)CC(=O)c2c(O)c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1.
What is the InChIKey of 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione?
The InChIKey is KRRMSSNFWTWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-23(2)13-17-20(18(25)14-23)21(26)19(15-9-5-3-6-10-15)22(27)24(17)16-11-7-4-8-12-16/h3-12,26H,13-14H2,1-2H3.
What are the key properties of 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione?
4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione has a molecular weight of 359.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,7-dimethyl-1,3-diphenyl-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 54682900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).