4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one

C25H17NO4 — CID 71384012

IUPAC4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one
SMILESO=c1oc2nc3ccccc3c(OCc3ccccc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C25H17NO4/c27-22-20(17-11-5-2-6-12-17)25(28)30-24-21(22)23(18-13-7-8-14-19(18)26-24)29-15-16-9-3-1-4-10-16/h1-14,27H,15H2
InChIKeyMDNNDORLAXNOQP-UHFFFAOYSA-N
MW395.41 g/mol
LogP5.29
Rot. Bonds4

About 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one

4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one (PubChem CID 71384012) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one
PubChem CID71384012
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one
SMILESO=c1oc2nc3ccccc3c(OCc3ccccc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C25H17NO4/c27-22-20(17-11-5-2-6-12-17)25(28)30-24-21(22)23(18-13-7-8-14-19(18)26-24)29-15-16-9-3-1-4-10-16/h1-14,27H,15H2
InChIKeyMDNNDORLAXNOQP-UHFFFAOYSA-N
XLogP5.29
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one (CID 71384012) is 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one is O=c1oc2nc3ccccc3c(OCc3ccccc3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one?
The InChIKey is MDNNDORLAXNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c27-22-20(17-11-5-2-6-12-17)25(28)30-24-21(22)23(18-13-7-8-14-19(18)26-24)29-15-16-9-3-1-4-10-16/h1-14,27H,15H2.
What are the key properties of 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one?
4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one has a molecular weight of 395.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one is sourced from PubChem (CID 71384012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).