3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione

C18H11NO4 — CID 163192365

IUPAC3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione
SMILESO=c1c2ccccc2oc2c(=O)n(-c3ccccc3)c(O)cc12
InChIInChI=1S/C18H11NO4/c20-15-10-13-16(21)12-8-4-5-9-14(12)23-17(13)18(22)19(15)11-6-2-1-3-7-11/h1-10,20H
InChIKeyMWOCUMSUKUONHU-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.80
Rot. Bonds1

About 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione

3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione (PubChem CID 163192365) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione.

Molecular Properties

Compound Name3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione
PubChem CID163192365
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione
SMILESO=c1c2ccccc2oc2c(=O)n(-c3ccccc3)c(O)cc12
InChIInChI=1S/C18H11NO4/c20-15-10-13-16(21)12-8-4-5-9-14(12)23-17(13)18(22)19(15)11-6-2-1-3-7-11/h1-10,20H
InChIKeyMWOCUMSUKUONHU-UHFFFAOYSA-N
XLogP2.80
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.80
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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Related Compounds

11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione?
The IUPAC name of 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione (CID 163192365) is 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione.
What is the SMILES notation for 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione?
The canonical SMILES for 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione is O=c1c2ccccc2oc2c(=O)n(-c3ccccc3)c(O)cc12.
What is the InChIKey of 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione?
The InChIKey is MWOCUMSUKUONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-15-10-13-16(21)12-8-4-5-9-14(12)23-17(13)18(22)19(15)11-6-2-1-3-7-11/h1-10,20H.
What are the key properties of 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione?
3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione has a molecular weight of 305.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione is sourced from PubChem (CID 163192365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).