[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate

C32H20N2O6 — CID 135499010

IUPAC[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)nc4ccccc34)cc2)cc1)c1cc(O)nc2ccccc12
InChIInChI=1S/C32H20N2O6/c35-29-17-25(23-5-1-3-7-27(23)33-29)31(37)39-21-13-9-19(10-14-21)20-11-15-22(16-12-20)40-32(38)26-18-30(36)34-28-8-4-2-6-24(26)28/h1-18H,(H,33,35)(H,34,36)
InChIKeyQPCLNNYTBAHJCC-UHFFFAOYSA-N
MW528.52 g/mol
LogP6.30
Rot. Bonds5

About [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate

[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate (PubChem CID 135499010) has the molecular formula C32H20N2O6 and a molecular weight of 528.52 g/mol. Its IUPAC name is [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate.

Molecular Properties

Compound Name[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate
PubChem CID135499010
Molecular FormulaC32H20N2O6
Molecular Weight528.52 g/mol
Exact Mass528.13
IUPAC Name[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)nc4ccccc34)cc2)cc1)c1cc(O)nc2ccccc12
InChIInChI=1S/C32H20N2O6/c35-29-17-25(23-5-1-3-7-27(23)33-29)31(37)39-21-13-9-19(10-14-21)20-11-15-22(16-12-20)40-32(38)26-18-30(36)34-28-8-4-2-6-24(26)28/h1-18H,(H,33,35)(H,34,36)
InChIKeyQPCLNNYTBAHJCC-UHFFFAOYSA-N
XLogP6.30
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.52
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
(4-acetylphenyl) 2-propan-2-ylquinoline-4-carboxylate
CID 16562571
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
1,3-benzodioxol-5-yl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 5011282
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126186966
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate?
The IUPAC name of [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate (CID 135499010) is [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate.
What is the SMILES notation for [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate?
The canonical SMILES for [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate is O=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)nc4ccccc34)cc2)cc1)c1cc(O)nc2ccccc12.
What is the InChIKey of [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate?
The InChIKey is QPCLNNYTBAHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O6/c35-29-17-25(23-5-1-3-7-27(23)33-29)31(37)39-21-13-9-19(10-14-21)20-11-15-22(16-12-20)40-32(38)26-18-30(36)34-28-8-4-2-6-24(26)28/h1-18H,(H,33,35)(H,34,36).
What are the key properties of [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate?
[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate has a molecular weight of 528.52 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate is sourced from PubChem (CID 135499010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).