4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione

C24H20N2O4 — CID 54691806

IUPAC4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(N(c3ccccc3)c3ccccc3)c3c(c2o1)CCCC3
InChIInChI=1S/C24H20N2O4/c27-20-15-21(28)30-23-18-13-7-8-14-19(18)26(24(29)22(20)23)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,27H,7-8,13-14H2
InChIKeyQFZOVCFESXRXAL-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.14
Rot. Bonds3

About 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione

4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54691806) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID54691806
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(N(c3ccccc3)c3ccccc3)c3c(c2o1)CCCC3
InChIInChI=1S/C24H20N2O4/c27-20-15-21(28)30-23-18-13-7-8-14-19(18)26(24(29)22(20)23)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,27H,7-8,13-14H2
InChIKeyQFZOVCFESXRXAL-UHFFFAOYSA-N
XLogP4.14
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione (CID 54691806) is 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione is O=c1cc(O)c2c(=O)n(N(c3ccccc3)c3ccccc3)c3c(c2o1)CCCC3.
What is the InChIKey of 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is QFZOVCFESXRXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-20-15-21(28)30-23-18-13-7-8-14-19(18)26(24(29)22(20)23)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,27H,7-8,13-14H2.
What are the key properties of 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 400.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(N-phenylanilino)-7,8,9,10-tetrahydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54691806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).