1,3-dibenzyl-3-hydroxyquinoline-2,4-dione

C23H19NO3 — CID 11428277

IUPAC1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
SMILESO=C1c2ccccc2N(Cc2ccccc2)C(=O)C1(O)Cc1ccccc1
InChIInChI=1S/C23H19NO3/c25-21-19-13-7-8-14-20(19)24(16-18-11-5-2-6-12-18)22(26)23(21,27)15-17-9-3-1-4-10-17/h1-14,27H,15-16H2
InChIKeyMATRQGQHGSWCGY-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.39
Rot. Bonds4

About 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione

1,3-dibenzyl-3-hydroxyquinoline-2,4-dione (PubChem CID 11428277) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
PubChem CID11428277
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
SMILESO=C1c2ccccc2N(Cc2ccccc2)C(=O)C1(O)Cc1ccccc1
InChIInChI=1S/C23H19NO3/c25-21-19-13-7-8-14-20(19)24(16-18-11-5-2-6-12-18)22(26)23(21,27)15-17-9-3-1-4-10-17/h1-14,27H,15-16H2
InChIKeyMATRQGQHGSWCGY-UHFFFAOYSA-N
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-butyl-3-hydroxyquinoline-2,4-dione
CID 12033042
1-benzyl-3-butyl-3-chloroquinoline-2,4-dione
CID 139216410
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
1-benzyl-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2956599
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
(3R)-3-[2-(1-adamantyl)-2-oxoethyl]-1-benzyl-3-hydroxyindol-2-one
CID 7281988

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione?
The IUPAC name of 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione (CID 11428277) is 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione is O=C1c2ccccc2N(Cc2ccccc2)C(=O)C1(O)Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione?
The InChIKey is MATRQGQHGSWCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21-19-13-7-8-14-20(19)24(16-18-11-5-2-6-12-18)22(26)23(21,27)15-17-9-3-1-4-10-17/h1-14,27H,15-16H2.
What are the key properties of 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione?
1,3-dibenzyl-3-hydroxyquinoline-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-hydroxyquinoline-2,4-dione is sourced from PubChem (CID 11428277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).