4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one

C14H15NO3 — CID 11680341

IUPAC4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
SMILESCC(O)c1cc(=O)oc2cc3c(cc12)CCCN3
InChIInChI=1S/C14H15NO3/c1-8(16)10-6-14(17)18-13-7-12-9(5-11(10)13)3-2-4-15-12/h5-8,15-16H,2-4H2,1H3
InChIKeyFRTWDKRQGRIAHC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds1

About 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one

4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one (PubChem CID 11680341) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
PubChem CID11680341
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
SMILESCC(O)c1cc(=O)oc2cc3c(cc12)CCCN3
InChIInChI=1S/C14H15NO3/c1-8(16)10-6-14(17)18-13-7-12-9(5-11(10)13)3-2-4-15-12/h5-8,15-16H,2-4H2,1H3
InChIKeyFRTWDKRQGRIAHC-UHFFFAOYSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one?
The IUPAC name of 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one (CID 11680341) is 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one.
What is the SMILES notation for 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one?
The canonical SMILES for 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one is CC(O)c1cc(=O)oc2cc3c(cc12)CCCN3.
What is the InChIKey of 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one?
The InChIKey is FRTWDKRQGRIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(16)10-6-14(17)18-13-7-12-9(5-11(10)13)3-2-4-15-12/h5-8,15-16H,2-4H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one?
4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one is sourced from PubChem (CID 11680341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).