5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

C19H18N2O4 — CID 161288962

IUPAC5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
SMILESCn1ccc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)cc1=O
InChIInChI=1S/C19H18N2O4/c1-21-4-2-11(7-17(21)23)19-15-9-14-12(6-13(15)10-20-19)8-18(24)25-16(14)3-5-22/h2,4,6-7,9,16,22H,3,5,8,10H2,1H3
InChIKeyKMKUVJCCBRRGSO-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.26
Rot. Bonds3

About 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (PubChem CID 161288962) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
PubChem CID161288962
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
SMILESCn1ccc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)cc1=O
InChIInChI=1S/C19H18N2O4/c1-21-4-2-11(7-17(21)23)19-15-9-14-12(6-13(15)10-20-19)8-18(24)25-16(14)3-5-22/h2,4,6-7,9,16,22H,3,5,8,10H2,1H3
InChIKeyKMKUVJCCBRRGSO-UHFFFAOYSA-N
XLogP1.26
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (CID 161288962) is 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is Cn1ccc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)cc1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The InChIKey is KMKUVJCCBRRGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-4-2-11(7-17(21)23)19-15-9-14-12(6-13(15)10-20-19)8-18(24)25-16(14)3-5-22/h2,4,6-7,9,16,22H,3,5,8,10H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one has a molecular weight of 338.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is sourced from PubChem (CID 161288962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).