4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one

C35H30N2O4 — CID 110273136

IUPAC4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
SMILESO=c1c(CCCCCc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H30N2O4/c38-32-26-18-10-12-22-30(26)36(24-14-4-1-5-15-24)34(40)28(32)20-8-3-9-21-29-33(39)27-19-11-13-23-31(27)37(35(29)41)25-16-6-2-7-17-25/h1-2,4-7,10-19,22-23,38-39H,3,8-9,20-21H2
InChIKeyYLWMCHPBSXXHEL-UHFFFAOYSA-N
MW542.64 g/mol
LogP6.66
Rot. Bonds8

About 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one

4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one (PubChem CID 110273136) has the molecular formula C35H30N2O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
PubChem CID110273136
Molecular FormulaC35H30N2O4
Molecular Weight542.64 g/mol
Exact Mass542.22
IUPAC Name4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
SMILESO=c1c(CCCCCc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H30N2O4/c38-32-26-18-10-12-22-30(26)36(24-14-4-1-5-15-24)34(40)28(32)20-8-3-9-21-29-33(39)27-19-11-13-23-31(27)37(35(29)41)25-16-6-2-7-17-25/h1-2,4-7,10-19,22-23,38-39H,3,8-9,20-21H2
InChIKeyYLWMCHPBSXXHEL-UHFFFAOYSA-N
XLogP6.66
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one with MolForge

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Related Compounds

3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
CID 54685600
3-butyl-4-chloro-1-phenylquinolin-2-one
CID 139216420
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54693055
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
CID 54722131
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one (CID 110273136) is 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one is O=c1c(CCCCCc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one?
The InChIKey is YLWMCHPBSXXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O4/c38-32-26-18-10-12-22-30(26)36(24-14-4-1-5-15-24)34(40)28(32)20-8-3-9-21-29-33(39)27-19-11-13-23-31(27)37(35(29)41)25-16-6-2-7-17-25/h1-2,4-7,10-19,22-23,38-39H,3,8-9,20-21H2.
What are the key properties of 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one?
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one has a molecular weight of 542.64 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one is sourced from PubChem (CID 110273136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).