3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione

C15H13NO4 — CID 10802052

IUPAC3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
SMILESCc1c(CCO)c(=O)oc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C15H13NO4/c1-8-9(6-7-17)15(19)20-13-10-4-2-3-5-11(10)16-14(18)12(8)13/h2-5,17H,6-7H2,1H3,(H,16,18)
InChIKeyFTZCIPUBLAGIMH-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione

3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 10802052) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID10802052
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
SMILESCc1c(CCO)c(=O)oc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C15H13NO4/c1-8-9(6-7-17)15(19)20-13-10-4-2-3-5-11(10)16-14(18)12(8)13/h2-5,17H,6-7H2,1H3,(H,16,18)
InChIKeyFTZCIPUBLAGIMH-UHFFFAOYSA-N
XLogP1.48
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one
CID 614063
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 14523217
8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 162659883
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate
CID 137316050
3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
CID 71519236
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
CID 3117151
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
CID 137316048

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione (CID 10802052) is 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione is Cc1c(CCO)c(=O)oc2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is FTZCIPUBLAGIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8-9(6-7-17)15(19)20-13-10-4-2-3-5-11(10)16-14(18)12(8)13/h2-5,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione?
3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 271.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 10802052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).