2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione

C21H17NO3 — CID 20695798

IUPAC2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
SMILESCC(C)c1ccc2nc(C3C(=O)c4ccccc4C3=O)c(O)cc2c1
InChIInChI=1S/C21H17NO3/c1-11(2)12-7-8-16-13(9-12)10-17(23)19(22-16)18-20(24)14-5-3-4-6-15(14)21(18)25/h3-11,18,23H,1-2H3
InChIKeyWZLRAOQLCCIYNR-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.23
Rot. Bonds2

About 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione

2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione (PubChem CID 20695798) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
PubChem CID20695798
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
SMILESCC(C)c1ccc2nc(C3C(=O)c4ccccc4C3=O)c(O)cc2c1
InChIInChI=1S/C21H17NO3/c1-11(2)12-7-8-16-13(9-12)10-17(23)19(22-16)18-20(24)14-5-3-4-6-15(14)21(18)25/h3-11,18,23H,1-2H3
InChIKeyWZLRAOQLCCIYNR-UHFFFAOYSA-N
XLogP4.23
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide
CID 130207081
3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid
CID 135787058
2,8-di(propan-2-yl)phenazine
CID 70800003
2-(2-methylprop-2-enoyloxy)ethyl 2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carboxylate
CID 162207629
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
CID 99865070
6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
ethane;2-propan-2-ylnaphthalene
CID 142226111
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
2-propan-2-ylpentacene
CID 153380535
2-[butyl-[2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 162207632

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione (CID 20695798) is 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione is CC(C)c1ccc2nc(C3C(=O)c4ccccc4C3=O)c(O)cc2c1.
What is the InChIKey of 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione?
The InChIKey is WZLRAOQLCCIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-11(2)12-7-8-16-13(9-12)10-17(23)19(22-16)18-20(24)14-5-3-4-6-15(14)21(18)25/h3-11,18,23H,1-2H3.
What are the key properties of 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione?
2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione has a molecular weight of 331.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 20695798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).